----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:33:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cm (8) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.454926635429404 -3.762671979999999 0.000000000000000 b 6.454926635429404 3.762671979999999 0.000000000000000 c -3.152803549109892 0.000000000000000 5.692342804049279 Atomic positions (fractional): *1 P 0.18977374694981 0.18977374694981 0.96202434711547 30.974 *2 P 0.51082012220563 0.51082012220563 0.95527026987840 30.974 *3 P 0.91586581374214 0.91586581374214 0.26576594432722 30.974 *4 P 0.22444785233788 0.73298985186111 0.46732764136379 30.974 5 P 0.73298985186111 0.22444785233788 0.46732764136379 30.974 *6 P 0.08674010929149 0.38682353056847 0.49088052869629 30.974 7 P 0.38682353056847 0.08674010929149 0.49088052869629 30.974 *8 P 0.94360836102408 0.39222382362094 0.72971708190008 30.974 9 P 0.39222382362094 0.94360836102408 0.72971708190008 30.974 *10 P 0.18966898123033 0.65153431336488 0.73832279275580 30.974 11 P 0.65153431336488 0.18966898123032 0.73832279275580 30.974 *12 Ag 0.70675900648209 0.70675900648209 0.96660014991994 107.868 *13 Ag 0.40987403977778 0.40987403977778 0.19882486740602 107.868 *14 Ag 0.00287047754334 0.00287047754334 0.99861833192102 107.868 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.909853270858807 0.000000000000000 0.000000000000000 b 0.000000000000000 7.525343959999998 0.000000000000000 c -3.152803549109892 0.000000000000000 5.692342804049279 Atomic positions (fractional): *1 P 0.18977374694981 0.00000000000000 0.96202434711547 30.974 > 1 *2 P 0.51082012220563 0.00000000000000 0.95527026987840 30.974 > 2 *3 P 0.91586581374214 0.00000000000000 0.26576594432722 30.974 > 3 *4 P 0.47871885209949 0.25427099976161 0.46732764136379 30.974 > 4 5 P 0.47871885209949 0.74572900023839 0.46732764136379 30.974 > 5 *6 P 0.23678181992998 0.15004171063849 0.49088052869629 30.974 > 6 7 P 0.23678181992998 0.84995828936151 0.49088052869629 30.974 > 7 *8 P 0.66791609232251 0.72430773129843 0.72971708190008 30.974 > 8 9 P 0.66791609232251 0.27569226870157 0.72971708190008 30.974 > 9 *10 P 0.42060164729760 0.23093266606728 0.73832279275580 30.974 > 10 11 P 0.42060164729760 0.76906733393272 0.73832279275580 30.974 > 11 12 P 0.68977374694981 0.50000000000000 0.96202434711547 30.974 > 1 13 P 0.01082012220563 0.50000000000000 0.95527026987840 30.974 > 2 14 P 0.41586581374214 0.50000000000000 0.26576594432722 30.974 > 3 15 P 0.97871885209949 0.75427099976161 0.46732764136379 30.974 > 4 16 P 0.97871885209949 0.24572900023839 0.46732764136379 30.974 > 5 17 P 0.73678181992998 0.65004171063849 0.49088052869629 30.974 > 6 18 P 0.73678181992998 0.34995828936151 0.49088052869629 30.974 > 7 19 P 0.16791609232251 0.22430773129843 0.72971708190008 30.974 > 8 20 P 0.16791609232251 0.77569226870157 0.72971708190008 30.974 > 9 21 P 0.92060164729760 0.73093266606728 0.73832279275580 30.974 > 10 22 P 0.92060164729760 0.26906733393272 0.73832279275580 30.974 > 11 *23 Ag 0.70675900648209 0.00000000000000 0.96660014991994 107.868 > 12 *24 Ag 0.40987403977778 0.00000000000000 0.19882486740602 107.868 > 13 *25 Ag 0.00287047754334 0.00000000000000 0.99861833192102 107.868 > 14 26 Ag 0.20675900648209 0.50000000000000 0.96660014991994 107.868 > 12 27 Ag 0.90987403977778 0.50000000000000 0.19882486740602 107.868 > 13 28 Ag 0.50287047754334 0.50000000000000 0.99861833192102 107.868 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.909853270858807 0.000000000000000 0.000000000000000 b 0.000000000000000 15.050687919999996 0.000000000000000 c -6.305607098219784 0.000000000000000 11.384685608098557 Atomic positions (fractional): *1 P 0.18977374694981 0.00000000000000 0.48101217355773 30.974 > 1 2 P 0.18977374694981 0.50000000000000 0.48101217355773 30.974 > 1 3 P 0.18977374694981 0.00000000000000 0.98101217355773 30.974 > 1 4 P 0.18977374694981 0.50000000000000 0.98101217355773 30.974 > 1 *5 P 0.51082012220563 0.00000000000000 0.47763513493920 30.974 > 2 6 P 0.51082012220563 0.50000000000000 0.47763513493920 30.974 > 2 7 P 0.51082012220563 0.00000000000000 0.97763513493920 30.974 > 2 8 P 0.51082012220563 0.50000000000000 0.97763513493920 30.974 > 2 *9 P 0.91586581374214 0.00000000000000 0.13288297216361 30.974 > 3 10 P 0.91586581374214 0.50000000000000 0.13288297216361 30.974 > 3 11 P 0.91586581374214 0.00000000000000 0.63288297216361 30.974 > 3 12 P 0.91586581374214 0.50000000000000 0.63288297216361 30.974 > 3 *13 P 0.47871885209949 0.12713549988081 0.23366382068189 30.974 > 4 14 P 0.47871885209949 0.62713549988081 0.23366382068189 30.974 > 4 15 P 0.47871885209949 0.12713549988081 0.73366382068189 30.974 > 4 16 P 0.47871885209949 0.62713549988081 0.73366382068189 30.974 > 4 17 P 0.47871885209949 0.37286450011919 0.23366382068189 30.974 > 5 18 P 0.47871885209949 0.87286450011919 0.23366382068189 30.974 > 5 19 P 0.47871885209949 0.37286450011919 0.73366382068189 30.974 > 5 20 P 0.47871885209949 0.87286450011919 0.73366382068189 30.974 > 5 *21 P 0.23678181992998 0.07502085531924 0.24544026434814 30.974 > 6 22 P 0.23678181992998 0.57502085531924 0.24544026434814 30.974 > 6 23 P 0.23678181992998 0.07502085531924 0.74544026434814 30.974 > 6 24 P 0.23678181992998 0.57502085531924 0.74544026434814 30.974 > 6 25 P 0.23678181992998 0.42497914468076 0.24544026434814 30.974 > 7 26 P 0.23678181992998 0.92497914468076 0.24544026434814 30.974 > 7 27 P 0.23678181992998 0.42497914468076 0.74544026434814 30.974 > 7 28 P 0.23678181992998 0.92497914468076 0.74544026434814 30.974 > 7 *29 P 0.66791609232251 0.36215386564922 0.36485854095004 30.974 > 8 30 P 0.66791609232251 0.86215386564922 0.36485854095004 30.974 > 8 31 P 0.66791609232251 0.36215386564922 0.86485854095004 30.974 > 8 32 P 0.66791609232251 0.86215386564922 0.86485854095004 30.974 > 8 33 P 0.66791609232251 0.13784613435078 0.36485854095004 30.974 > 9 34 P 0.66791609232251 0.63784613435078 0.36485854095004 30.974 > 9 35 P 0.66791609232251 0.13784613435078 0.86485854095004 30.974 > 9 36 P 0.66791609232251 0.63784613435078 0.86485854095004 30.974 > 9 *37 P 0.42060164729760 0.11546633303364 0.36916139637790 30.974 > 10 38 P 0.42060164729760 0.61546633303364 0.36916139637790 30.974 > 10 39 P 0.42060164729760 0.11546633303364 0.86916139637790 30.974 > 10 40 P 0.42060164729760 0.61546633303364 0.86916139637790 30.974 > 10 41 P 0.42060164729760 0.38453366696636 0.36916139637790 30.974 > 11 42 P 0.42060164729760 0.88453366696636 0.36916139637790 30.974 > 11 43 P 0.42060164729760 0.38453366696636 0.86916139637790 30.974 > 11 44 P 0.42060164729760 0.88453366696636 0.86916139637790 30.974 > 11 45 P 0.68977374694981 0.25000000000000 0.48101217355773 30.974 > 1 46 P 0.68977374694981 0.75000000000000 0.48101217355773 30.974 > 1 47 P 0.68977374694981 0.25000000000000 0.98101217355773 30.974 > 1 48 P 0.68977374694981 0.75000000000000 0.98101217355773 30.974 > 1 49 P 0.01082012220563 0.25000000000000 0.47763513493920 30.974 > 2 50 P 0.01082012220563 0.75000000000000 0.47763513493920 30.974 > 2 51 P 0.01082012220563 0.25000000000000 0.97763513493920 30.974 > 2 52 P 0.01082012220563 0.75000000000000 0.97763513493920 30.974 > 2 53 P 0.41586581374214 0.25000000000000 0.13288297216361 30.974 > 3 54 P 0.41586581374214 0.75000000000000 0.13288297216361 30.974 > 3 55 P 0.41586581374214 0.25000000000000 0.63288297216361 30.974 > 3 56 P 0.41586581374214 0.75000000000000 0.63288297216361 30.974 > 3 57 P 0.97871885209949 0.37713549988081 0.23366382068189 30.974 > 4 58 P 0.97871885209949 0.87713549988081 0.23366382068189 30.974 > 4 59 P 0.97871885209949 0.37713549988081 0.73366382068189 30.974 > 4 60 P 0.97871885209949 0.87713549988081 0.73366382068189 30.974 > 4 61 P 0.97871885209949 0.12286450011919 0.23366382068189 30.974 > 5 62 P 0.97871885209949 0.62286450011919 0.23366382068189 30.974 > 5 63 P 0.97871885209949 0.12286450011919 0.73366382068189 30.974 > 5 64 P 0.97871885209949 0.62286450011919 0.73366382068189 30.974 > 5 65 P 0.73678181992998 0.32502085531924 0.24544026434814 30.974 > 6 66 P 0.73678181992998 0.82502085531924 0.24544026434814 30.974 > 6 67 P 0.73678181992998 0.32502085531924 0.74544026434814 30.974 > 6 68 P 0.73678181992998 0.82502085531924 0.74544026434814 30.974 > 6 69 P 0.73678181992998 0.17497914468076 0.24544026434814 30.974 > 7 70 P 0.73678181992998 0.67497914468076 0.24544026434814 30.974 > 7 71 P 0.73678181992998 0.17497914468076 0.74544026434814 30.974 > 7 72 P 0.73678181992998 0.67497914468076 0.74544026434814 30.974 > 7 73 P 0.16791609232251 0.11215386564922 0.36485854095004 30.974 > 8 74 P 0.16791609232251 0.61215386564922 0.36485854095004 30.974 > 8 75 P 0.16791609232251 0.11215386564922 0.86485854095004 30.974 > 8 76 P 0.16791609232251 0.61215386564922 0.86485854095004 30.974 > 8 77 P 0.16791609232251 0.38784613435078 0.36485854095004 30.974 > 9 78 P 0.16791609232251 0.88784613435078 0.36485854095004 30.974 > 9 79 P 0.16791609232251 0.38784613435078 0.86485854095004 30.974 > 9 80 P 0.16791609232251 0.88784613435078 0.86485854095004 30.974 > 9 81 P 0.92060164729760 0.36546633303364 0.36916139637790 30.974 > 10 82 P 0.92060164729760 0.86546633303364 0.36916139637790 30.974 > 10 83 P 0.92060164729760 0.36546633303364 0.86916139637790 30.974 > 10 84 P 0.92060164729760 0.86546633303364 0.86916139637790 30.974 > 10 85 P 0.92060164729760 0.13453366696636 0.36916139637790 30.974 > 11 86 P 0.92060164729760 0.63453366696636 0.36916139637790 30.974 > 11 87 P 0.92060164729760 0.13453366696636 0.86916139637790 30.974 > 11 88 P 0.92060164729760 0.63453366696636 0.86916139637790 30.974 > 11 *89 Ag 0.70675900648209 0.00000000000000 0.48330007495997 107.868 > 12 90 Ag 0.70675900648209 0.50000000000000 0.48330007495997 107.868 > 12 91 Ag 0.70675900648209 0.00000000000000 0.98330007495997 107.868 > 12 92 Ag 0.70675900648209 0.50000000000000 0.98330007495997 107.868 > 12 *93 Ag 0.40987403977778 0.00000000000000 0.09941243370301 107.868 > 13 94 Ag 0.40987403977778 0.50000000000000 0.09941243370301 107.868 > 13 95 Ag 0.40987403977778 0.00000000000000 0.59941243370301 107.868 > 13 96 Ag 0.40987403977778 0.50000000000000 0.59941243370301 107.868 > 13 *97 Ag 0.00287047754334 0.00000000000000 0.49930916596051 107.868 > 14 98 Ag 0.00287047754334 0.50000000000000 0.49930916596051 107.868 > 14 99 Ag 0.00287047754334 0.00000000000000 0.99930916596051 107.868 > 14 100 Ag 0.00287047754334 0.50000000000000 0.99930916596051 107.868 > 14 101 Ag 0.20675900648209 0.25000000000000 0.48330007495997 107.868 > 12 102 Ag 0.20675900648209 0.75000000000000 0.48330007495997 107.868 > 12 103 Ag 0.20675900648209 0.25000000000000 0.98330007495997 107.868 > 12 104 Ag 0.20675900648209 0.75000000000000 0.98330007495997 107.868 > 12 105 Ag 0.90987403977778 0.25000000000000 0.09941243370301 107.868 > 13 106 Ag 0.90987403977778 0.75000000000000 0.09941243370301 107.868 > 13 107 Ag 0.90987403977778 0.25000000000000 0.59941243370301 107.868 > 13 108 Ag 0.90987403977778 0.75000000000000 0.59941243370301 107.868 > 13 109 Ag 0.50287047754334 0.25000000000000 0.49930916596051 107.868 > 14 110 Ag 0.50287047754334 0.75000000000000 0.49930916596051 107.868 > 14 111 Ag 0.50287047754334 0.25000000000000 0.99930916596051 107.868 > 14 112 Ag 0.50287047754334 0.75000000000000 0.99930916596051 107.868 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.4295317 0.0000000 -0.0283058 0.0000000 13.2258980 0.0000000 -0.0289818 0.0000000 12.8066557 -------------------------- Born effective charges -------------------------- 1 P -0.8436817 0.0000000 -0.3421622 0.0000000 -0.8069608 0.0000000 0.1723296 0.0000000 -0.4246785 2 P -1.0708642 0.0000000 0.1307812 0.0000000 -0.6542549 0.0000000 -0.0824261 0.0000000 -0.5111853 3 P -0.8944421 0.0000000 0.1594179 0.0000000 -0.8246142 0.0000000 0.1659035 0.0000000 -0.0039420 4 P -0.2123140 0.4401119 -0.0739670 -0.0456776 0.2276052 -0.1496503 -0.0558002 -0.2486556 -0.1680096 5 P -0.2123140 -0.4401119 -0.0739670 0.0456776 0.2276052 0.1496503 -0.0558002 0.2486556 -0.1680096 6 P 0.2286016 0.0981660 0.1636406 0.0531505 -0.6137971 0.7665507 -0.0001777 0.1586433 0.6730823 7 P 0.2286016 -0.0981660 0.1636406 -0.0531505 -0.6137971 -0.7665507 -0.0001777 -0.1586433 0.6730823 8 P 0.4605831 -0.2089298 0.0398906 -0.4448517 0.4451249 -0.4076801 0.2113648 -0.2559031 -0.2324653 9 P 0.4605831 0.2089298 0.0398906 0.4448517 0.4451249 0.4076801 0.2113648 0.2559031 -0.2324653 10 P 0.2424196 0.4929269 0.0004565 0.3730985 0.6060355 -0.3808126 -0.3717867 -0.2749550 -0.3402001 11 P 0.2424196 -0.4929269 0.0004565 -0.3730985 0.6060355 0.3808126 -0.3717867 0.2749550 -0.3402001 12 Ag 0.5685433 0.0000000 0.1384877 0.0000000 0.4516092 0.0000000 -0.0004508 0.0000000 0.4261593 13 Ag 0.2452243 0.0000000 -0.0872657 0.0000000 0.0844659 0.0000000 0.2015551 0.0000000 0.2964399 14 Ag 0.5566397 0.0000000 -0.2593003 0.0000000 0.4198180 0.0000000 -0.0241118 0.0000000 0.3523920 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 9564/9564 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3690 Number of blocks in projector: 3690 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 150 --- Eigsh_solver_block: 1 / 150 --- Block_size: 856 Use submatrix version of eigh solver. (1) Block: 500 / 856 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 856 / 856 (1) 343 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 150 --- Block_size: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 640 / 640 (1) 136 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 150 --- Block_size: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 640 / 640 (1) 136 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 150 --- Block_size: 470 Use standard eigh solver. --- Eigsh_solver_block: 5 / 150 --- Block_size: 470 Use standard eigh solver. --- Eigsh_solver_block: 6 / 150 --- Block_size: 470 Use standard eigh solver. --- Eigsh_solver_block: 7 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 13 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 14 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 15 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 16 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 17 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 18 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 19 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 20 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 21 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 22 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 23 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 24 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 25 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 26 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 27 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 28 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 29 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 30 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 31 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 32 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 33 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 34 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 35 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 36 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 37 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 38 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 39 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 40 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 41 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 42 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 43 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 44 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 45 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 46 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 47 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 48 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 49 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 50 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 51 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 52 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 53 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 54 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 55 / 150 --- Block_size: 1 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Use standard eigh solver. --- Eigsh_solver_block: 69 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 70 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 71 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 72 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 73 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 74 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 75 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 76 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 77 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 78 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 79 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 80 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 81 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 82 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 83 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 84 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 85 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 86 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 87 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 88 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 89 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 90 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 91 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 92 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 93 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 94 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 95 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 96 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 97 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 98 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 99 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 100 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 101 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 102 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 103 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 104 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 105 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 106 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 107 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 108 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 109 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 110 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 111 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 112 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 113 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 114 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 115 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 116 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 117 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 118 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 119 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 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eigh solver. --- Eigsh_solver_block: 146 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 147 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 148 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 149 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 150 / 150 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (3690, 3625), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (470, 460), data: True |-- (470, 460), data: True |-- (470, 460), data: True |-- (640, 632), data: False |-- (640, 4), data: (640, 12) @ (12, 4) |-- (140, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (640, 632), data: False |-- (640, 4), data: (640, 12) @ (12, 4) |-- (140, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (856, 837), data: False |-- (856, 13), data: (856, 32) @ (32, 13) |-- (356, 343), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 0.930 Solver_block: 200 / 880 - Time: 0.885 Solver_block: 300 / 880 - Time: 0.883 Solver_block: 400 / 880 - Time: 0.877 Solver_block: 500 / 880 - Time: 0.884 Solver_block: 600 / 880 - Time: 0.879 Solver_block: 700 / 880 - Time: 0.885 Solver_block: 800 / 880 - Time: 0.881 Solver_block: 880 / 880 - Time: 0.730 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.015 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xz) -0.00000000 (xz) Permutation basis: 336/336 Permutation basis: 9564/9564 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3690 Number of blocks in projector: 3690 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 150 --- Eigsh_solver_block: 1 / 150 --- Block_size: 856 Use submatrix version of eigh solver. (1) Block: 500 / 856 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 856 / 856 (1) 343 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 150 --- Block_size: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 640 / 640 (1) 136 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 150 --- Block_size: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 640 / 640 (1) 136 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 150 --- Block_size: 470 Use standard eigh solver. --- Eigsh_solver_block: 5 / 150 --- Block_size: 470 Use standard eigh solver. --- Eigsh_solver_block: 6 / 150 --- Block_size: 470 Use standard eigh solver. --- Eigsh_solver_block: 7 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 13 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 14 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 15 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 16 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 17 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 18 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 19 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 20 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 21 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 22 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 23 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 24 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 25 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 26 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 27 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 28 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 29 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 30 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 31 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 32 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 33 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 34 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 35 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 36 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 37 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 38 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 39 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 40 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 41 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 42 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 43 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 44 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 45 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 46 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 47 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 48 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 49 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 50 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 51 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 52 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 53 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 54 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 55 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 56 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 57 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 58 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 59 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 60 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 61 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 62 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 63 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 64 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 65 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 66 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 67 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 68 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 69 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 70 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 71 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 72 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 73 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 74 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 75 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 76 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 77 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 78 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 79 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 80 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 81 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 82 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 83 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 84 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 85 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 86 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 87 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 88 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 89 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 90 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 91 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 92 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 93 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 94 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 95 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 96 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 97 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 98 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 99 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 100 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 101 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 102 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 103 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 104 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 105 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 106 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 107 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 108 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 109 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 110 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 111 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 112 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 113 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 114 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 115 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 116 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 117 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 118 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 119 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 120 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 121 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 122 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 123 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 124 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 125 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 126 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 127 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 128 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 129 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 130 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 131 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 132 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 133 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 134 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 135 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 136 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 137 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 138 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 139 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 140 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 141 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 142 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 143 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 144 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 145 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 146 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 147 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 148 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 149 / 150 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 150 / 150 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (3690, 3625), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (470, 460), data: True |-- (470, 460), data: True |-- (470, 460), data: True |-- (640, 632), data: False |-- (640, 4), data: (640, 12) @ (12, 4) |-- (140, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (640, 632), data: False |-- (640, 4), data: (640, 12) @ (12, 4) |-- (140, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (856, 837), data: False |-- (856, 13), data: (856, 32) @ (32, 13) |-- (356, 343), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xz) -0.00000000 (xz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:34:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:34:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cm (8) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.454926635429404 -3.762671979999999 0.000000000000000 b 6.454926635429404 3.762671979999999 0.000000000000000 c -3.152803549109892 0.000000000000000 5.692342804049279 Atomic positions (fractional): 1 P 0.18977374694981 0.18977374694981 0.96202434711547 30.974 2 P 0.51082012220563 0.51082012220563 0.95527026987840 30.974 3 P 0.91586581374214 0.91586581374214 0.26576594432722 30.974 4 P 0.22444785233788 0.73298985186111 0.46732764136379 30.974 5 P 0.73298985186111 0.22444785233788 0.46732764136379 30.974 6 P 0.08674010929149 0.38682353056847 0.49088052869629 30.974 7 P 0.38682353056847 0.08674010929149 0.49088052869629 30.974 8 P 0.94360836102408 0.39222382362094 0.72971708190008 30.974 9 P 0.39222382362094 0.94360836102408 0.72971708190008 30.974 10 P 0.18966898123033 0.65153431336488 0.73832279275580 30.974 11 P 0.65153431336488 0.18966898123032 0.73832279275580 30.974 12 Ag 0.70675900648209 0.70675900648209 0.96660014991994 107.868 13 Ag 0.40987403977778 0.40987403977778 0.19882486740602 107.868 14 Ag 0.00287047754334 0.00287047754334 0.99861833192102 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.909853270858807 0.000000000000000 0.000000000000000 b 0.000000000000000 15.050687919999996 0.000000000000000 c -6.305607098219784 0.000000000000000 11.384685608098557 Atomic positions (fractional): 1 P 0.18977374694981 0.00000000000000 0.48101217355773 30.974 > 1 2 P 0.18977374694981 0.50000000000000 0.48101217355773 30.974 > 1 3 P 0.18977374694981 0.00000000000000 0.98101217355773 30.974 > 1 4 P 0.18977374694981 0.50000000000000 0.98101217355773 30.974 > 1 5 P 0.51082012220563 0.00000000000000 0.47763513493920 30.974 > 5 6 P 0.51082012220563 0.50000000000000 0.47763513493920 30.974 > 5 7 P 0.51082012220563 0.00000000000000 0.97763513493920 30.974 > 5 8 P 0.51082012220563 0.50000000000000 0.97763513493920 30.974 > 5 9 P 0.91586581374214 0.00000000000000 0.13288297216361 30.974 > 9 10 P 0.91586581374214 0.50000000000000 0.13288297216361 30.974 > 9 11 P 0.91586581374214 0.00000000000000 0.63288297216361 30.974 > 9 12 P 0.91586581374214 0.50000000000000 0.63288297216361 30.974 > 9 13 P 0.47871885209949 0.12713549988081 0.23366382068189 30.974 > 13 14 P 0.47871885209949 0.62713549988081 0.23366382068189 30.974 > 13 15 P 0.47871885209949 0.12713549988081 0.73366382068189 30.974 > 13 16 P 0.47871885209949 0.62713549988081 0.73366382068189 30.974 > 13 17 P 0.47871885209949 0.37286450011919 0.23366382068189 30.974 > 17 18 P 0.47871885209949 0.87286450011919 0.23366382068189 30.974 > 17 19 P 0.47871885209949 0.37286450011919 0.73366382068189 30.974 > 17 20 P 0.47871885209949 0.87286450011919 0.73366382068189 30.974 > 17 21 P 0.23678181992998 0.07502085531924 0.24544026434814 30.974 > 21 22 P 0.23678181992998 0.57502085531924 0.24544026434814 30.974 > 21 23 P 0.23678181992998 0.07502085531924 0.74544026434814 30.974 > 21 24 P 0.23678181992998 0.57502085531924 0.74544026434814 30.974 > 21 25 P 0.23678181992998 0.42497914468076 0.24544026434814 30.974 > 25 26 P 0.23678181992998 0.92497914468076 0.24544026434814 30.974 > 25 27 P 0.23678181992998 0.42497914468076 0.74544026434814 30.974 > 25 28 P 0.23678181992998 0.92497914468076 0.74544026434814 30.974 > 25 29 P 0.66791609232251 0.36215386564922 0.36485854095004 30.974 > 29 30 P 0.66791609232251 0.86215386564922 0.36485854095004 30.974 > 29 31 P 0.66791609232251 0.36215386564922 0.86485854095004 30.974 > 29 32 P 0.66791609232251 0.86215386564922 0.86485854095004 30.974 > 29 33 P 0.66791609232251 0.13784613435078 0.36485854095004 30.974 > 33 34 P 0.66791609232251 0.63784613435078 0.36485854095004 30.974 > 33 35 P 0.66791609232251 0.13784613435078 0.86485854095004 30.974 > 33 36 P 0.66791609232251 0.63784613435078 0.86485854095004 30.974 > 33 37 P 0.42060164729760 0.11546633303364 0.36916139637790 30.974 > 37 38 P 0.42060164729760 0.61546633303364 0.36916139637790 30.974 > 37 39 P 0.42060164729760 0.11546633303364 0.86916139637790 30.974 > 37 40 P 0.42060164729760 0.61546633303364 0.86916139637790 30.974 > 37 41 P 0.42060164729760 0.38453366696636 0.36916139637790 30.974 > 41 42 P 0.42060164729760 0.88453366696636 0.36916139637790 30.974 > 41 43 P 0.42060164729760 0.38453366696636 0.86916139637790 30.974 > 41 44 P 0.42060164729760 0.88453366696636 0.86916139637790 30.974 > 41 45 P 0.68977374694981 0.25000000000000 0.48101217355773 30.974 > 1 46 P 0.68977374694981 0.75000000000000 0.48101217355773 30.974 > 1 47 P 0.68977374694981 0.25000000000000 0.98101217355773 30.974 > 1 48 P 0.68977374694981 0.75000000000000 0.98101217355773 30.974 > 1 49 P 0.01082012220563 0.25000000000000 0.47763513493920 30.974 > 5 50 P 0.01082012220563 0.75000000000000 0.47763513493920 30.974 > 5 51 P 0.01082012220563 0.25000000000000 0.97763513493920 30.974 > 5 52 P 0.01082012220563 0.75000000000000 0.97763513493920 30.974 > 5 53 P 0.41586581374214 0.25000000000000 0.13288297216361 30.974 > 9 54 P 0.41586581374214 0.75000000000000 0.13288297216361 30.974 > 9 55 P 0.41586581374214 0.25000000000000 0.63288297216361 30.974 > 9 56 P 0.41586581374214 0.75000000000000 0.63288297216361 30.974 > 9 57 P 0.97871885209949 0.37713549988081 0.23366382068189 30.974 > 13 58 P 0.97871885209949 0.87713549988081 0.23366382068189 30.974 > 13 59 P 0.97871885209949 0.37713549988081 0.73366382068189 30.974 > 13 60 P 0.97871885209949 0.87713549988081 0.73366382068189 30.974 > 13 61 P 0.97871885209949 0.12286450011919 0.23366382068189 30.974 > 17 62 P 0.97871885209949 0.62286450011919 0.23366382068189 30.974 > 17 63 P 0.97871885209949 0.12286450011919 0.73366382068189 30.974 > 17 64 P 0.97871885209949 0.62286450011919 0.73366382068189 30.974 > 17 65 P 0.73678181992998 0.32502085531924 0.24544026434814 30.974 > 21 66 P 0.73678181992998 0.82502085531924 0.24544026434814 30.974 > 21 67 P 0.73678181992998 0.32502085531924 0.74544026434814 30.974 > 21 68 P 0.73678181992998 0.82502085531924 0.74544026434814 30.974 > 21 69 P 0.73678181992998 0.17497914468076 0.24544026434814 30.974 > 25 70 P 0.73678181992998 0.67497914468076 0.24544026434814 30.974 > 25 71 P 0.73678181992998 0.17497914468076 0.74544026434814 30.974 > 25 72 P 0.73678181992998 0.67497914468076 0.74544026434814 30.974 > 25 73 P 0.16791609232251 0.11215386564922 0.36485854095004 30.974 > 29 74 P 0.16791609232251 0.61215386564922 0.36485854095004 30.974 > 29 75 P 0.16791609232251 0.11215386564922 0.86485854095004 30.974 > 29 76 P 0.16791609232251 0.61215386564922 0.86485854095004 30.974 > 29 77 P 0.16791609232251 0.38784613435078 0.36485854095004 30.974 > 33 78 P 0.16791609232251 0.88784613435078 0.36485854095004 30.974 > 33 79 P 0.16791609232251 0.38784613435078 0.86485854095004 30.974 > 33 80 P 0.16791609232251 0.88784613435078 0.86485854095004 30.974 > 33 81 P 0.92060164729760 0.36546633303364 0.36916139637790 30.974 > 37 82 P 0.92060164729760 0.86546633303364 0.36916139637790 30.974 > 37 83 P 0.92060164729760 0.36546633303364 0.86916139637790 30.974 > 37 84 P 0.92060164729760 0.86546633303364 0.86916139637790 30.974 > 37 85 P 0.92060164729760 0.13453366696636 0.36916139637790 30.974 > 41 86 P 0.92060164729760 0.63453366696636 0.36916139637790 30.974 > 41 87 P 0.92060164729760 0.13453366696636 0.86916139637790 30.974 > 41 88 P 0.92060164729760 0.63453366696636 0.86916139637790 30.974 > 41 89 Ag 0.70675900648209 0.00000000000000 0.48330007495997 107.868 > 89 90 Ag 0.70675900648209 0.50000000000000 0.48330007495997 107.868 > 89 91 Ag 0.70675900648209 0.00000000000000 0.98330007495997 107.868 > 89 92 Ag 0.70675900648209 0.50000000000000 0.98330007495997 107.868 > 89 93 Ag 0.40987403977778 0.00000000000000 0.09941243370301 107.868 > 93 94 Ag 0.40987403977778 0.50000000000000 0.09941243370301 107.868 > 93 95 Ag 0.40987403977778 0.00000000000000 0.59941243370301 107.868 > 93 96 Ag 0.40987403977778 0.50000000000000 0.59941243370301 107.868 > 93 97 Ag 0.00287047754334 0.00000000000000 0.49930916596051 107.868 > 97 98 Ag 0.00287047754334 0.50000000000000 0.49930916596051 107.868 > 97 99 Ag 0.00287047754334 0.00000000000000 0.99930916596051 107.868 > 97 100 Ag 0.00287047754334 0.50000000000000 0.99930916596051 107.868 > 97 101 Ag 0.20675900648209 0.25000000000000 0.48330007495997 107.868 > 89 102 Ag 0.20675900648209 0.75000000000000 0.48330007495997 107.868 > 89 103 Ag 0.20675900648209 0.25000000000000 0.98330007495997 107.868 > 89 104 Ag 0.20675900648209 0.75000000000000 0.98330007495997 107.868 > 89 105 Ag 0.90987403977778 0.25000000000000 0.09941243370301 107.868 > 93 106 Ag 0.90987403977778 0.75000000000000 0.09941243370301 107.868 > 93 107 Ag 0.90987403977778 0.25000000000000 0.59941243370301 107.868 > 93 108 Ag 0.90987403977778 0.75000000000000 0.59941243370301 107.868 > 93 109 Ag 0.50287047754334 0.25000000000000 0.49930916596051 107.868 > 97 110 Ag 0.50287047754334 0.75000000000000 0.49930916596051 107.868 > 97 111 Ag 0.50287047754334 0.25000000000000 0.99930916596051 107.868 > 97 112 Ag 0.50287047754334 0.75000000000000 0.99930916596051 107.868 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.4295317 0.0000000 -0.0283058 0.0000000 13.2258980 0.0000000 -0.0289818 0.0000000 12.8066557 -------------------------- Born effective charges -------------------------- 1 P -0.8436817 0.0000000 -0.3421622 0.0000000 -0.8069608 0.0000000 0.1723296 0.0000000 -0.4246785 2 P -1.0708642 0.0000000 0.1307812 0.0000000 -0.6542549 0.0000000 -0.0824261 0.0000000 -0.5111853 3 P -0.8944421 0.0000000 0.1594179 0.0000000 -0.8246142 0.0000000 0.1659035 0.0000000 -0.0039420 4 P -0.2123140 0.4401119 -0.0739670 -0.0456776 0.2276052 -0.1496503 -0.0558002 -0.2486556 -0.1680096 5 P -0.2123140 -0.4401119 -0.0739670 0.0456776 0.2276052 0.1496503 -0.0558002 0.2486556 -0.1680096 6 P 0.2286016 0.0981660 0.1636406 0.0531505 -0.6137971 0.7665507 -0.0001777 0.1586433 0.6730823 7 P 0.2286016 -0.0981660 0.1636406 -0.0531505 -0.6137971 -0.7665507 -0.0001777 -0.1586433 0.6730823 8 P 0.4605831 -0.2089298 0.0398906 -0.4448517 0.4451249 -0.4076801 0.2113648 -0.2559031 -0.2324653 9 P 0.4605831 0.2089298 0.0398906 0.4448517 0.4451249 0.4076801 0.2113648 0.2559031 -0.2324653 10 P 0.2424196 0.4929269 0.0004565 0.3730985 0.6060355 -0.3808126 -0.3717867 -0.2749550 -0.3402001 11 P 0.2424196 -0.4929269 0.0004565 -0.3730985 0.6060355 0.3808126 -0.3717867 0.2749550 -0.3402001 12 Ag 0.5685433 0.0000000 0.1384877 0.0000000 0.4516092 0.0000000 -0.0004508 0.0000000 0.4261593 13 Ag 0.2452243 0.0000000 -0.0872657 0.0000000 0.0844659 0.0000000 0.2015551 0.0000000 0.2964399 14 Ag 0.5566397 0.0000000 -0.2593003 0.0000000 0.4198180 0.0000000 -0.0241118 0.0000000 0.3523920 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Computing fc3[ 93, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000008 (xzx) 0.00000008 (xzx) 0.00000008 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (xz) -0.00000004 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:34:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:34:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cm (8) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.454926635429404 -3.762671979999999 0.000000000000000 b 6.454926635429404 3.762671979999999 0.000000000000000 c -3.152803549109892 0.000000000000000 5.692342804049279 Atomic positions (fractional): 1 P 0.18977374694981 0.18977374694981 0.96202434711547 30.974 2 P 0.51082012220563 0.51082012220563 0.95527026987840 30.974 3 P 0.91586581374214 0.91586581374214 0.26576594432722 30.974 4 P 0.22444785233788 0.73298985186111 0.46732764136379 30.974 5 P 0.73298985186111 0.22444785233788 0.46732764136379 30.974 6 P 0.08674010929149 0.38682353056847 0.49088052869629 30.974 7 P 0.38682353056847 0.08674010929149 0.49088052869629 30.974 8 P 0.94360836102408 0.39222382362094 0.72971708190008 30.974 9 P 0.39222382362094 0.94360836102408 0.72971708190008 30.974 10 P 0.18966898123033 0.65153431336488 0.73832279275580 30.974 11 P 0.65153431336488 0.18966898123032 0.73832279275580 30.974 12 Ag 0.70675900648209 0.70675900648209 0.96660014991994 107.868 13 Ag 0.40987403977778 0.40987403977778 0.19882486740602 107.868 14 Ag 0.00287047754334 0.00287047754334 0.99861833192102 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.909853270858807 0.000000000000000 0.000000000000000 b 0.000000000000000 15.050687919999996 0.000000000000000 c -6.305607098219784 0.000000000000000 11.384685608098557 Atomic positions (fractional): 1 P 0.18977374694981 0.00000000000000 0.48101217355773 30.974 > 1 2 P 0.18977374694981 0.50000000000000 0.48101217355773 30.974 > 1 3 P 0.18977374694981 0.00000000000000 0.98101217355773 30.974 > 1 4 P 0.18977374694981 0.50000000000000 0.98101217355773 30.974 > 1 5 P 0.51082012220563 0.00000000000000 0.47763513493920 30.974 > 5 6 P 0.51082012220563 0.50000000000000 0.47763513493920 30.974 > 5 7 P 0.51082012220563 0.00000000000000 0.97763513493920 30.974 > 5 8 P 0.51082012220563 0.50000000000000 0.97763513493920 30.974 > 5 9 P 0.91586581374214 0.00000000000000 0.13288297216361 30.974 > 9 10 P 0.91586581374214 0.50000000000000 0.13288297216361 30.974 > 9 11 P 0.91586581374214 0.00000000000000 0.63288297216361 30.974 > 9 12 P 0.91586581374214 0.50000000000000 0.63288297216361 30.974 > 9 13 P 0.47871885209949 0.12713549988081 0.23366382068189 30.974 > 13 14 P 0.47871885209949 0.62713549988081 0.23366382068189 30.974 > 13 15 P 0.47871885209949 0.12713549988081 0.73366382068189 30.974 > 13 16 P 0.47871885209949 0.62713549988081 0.73366382068189 30.974 > 13 17 P 0.47871885209949 0.37286450011919 0.23366382068189 30.974 > 17 18 P 0.47871885209949 0.87286450011919 0.23366382068189 30.974 > 17 19 P 0.47871885209949 0.37286450011919 0.73366382068189 30.974 > 17 20 P 0.47871885209949 0.87286450011919 0.73366382068189 30.974 > 17 21 P 0.23678181992998 0.07502085531924 0.24544026434814 30.974 > 21 22 P 0.23678181992998 0.57502085531924 0.24544026434814 30.974 > 21 23 P 0.23678181992998 0.07502085531924 0.74544026434814 30.974 > 21 24 P 0.23678181992998 0.57502085531924 0.74544026434814 30.974 > 21 25 P 0.23678181992998 0.42497914468076 0.24544026434814 30.974 > 25 26 P 0.23678181992998 0.92497914468076 0.24544026434814 30.974 > 25 27 P 0.23678181992998 0.42497914468076 0.74544026434814 30.974 > 25 28 P 0.23678181992998 0.92497914468076 0.74544026434814 30.974 > 25 29 P 0.66791609232251 0.36215386564922 0.36485854095004 30.974 > 29 30 P 0.66791609232251 0.86215386564922 0.36485854095004 30.974 > 29 31 P 0.66791609232251 0.36215386564922 0.86485854095004 30.974 > 29 32 P 0.66791609232251 0.86215386564922 0.86485854095004 30.974 > 29 33 P 0.66791609232251 0.13784613435078 0.36485854095004 30.974 > 33 34 P 0.66791609232251 0.63784613435078 0.36485854095004 30.974 > 33 35 P 0.66791609232251 0.13784613435078 0.86485854095004 30.974 > 33 36 P 0.66791609232251 0.63784613435078 0.86485854095004 30.974 > 33 37 P 0.42060164729760 0.11546633303364 0.36916139637790 30.974 > 37 38 P 0.42060164729760 0.61546633303364 0.36916139637790 30.974 > 37 39 P 0.42060164729760 0.11546633303364 0.86916139637790 30.974 > 37 40 P 0.42060164729760 0.61546633303364 0.86916139637790 30.974 > 37 41 P 0.42060164729760 0.38453366696636 0.36916139637790 30.974 > 41 42 P 0.42060164729760 0.88453366696636 0.36916139637790 30.974 > 41 43 P 0.42060164729760 0.38453366696636 0.86916139637790 30.974 > 41 44 P 0.42060164729760 0.88453366696636 0.86916139637790 30.974 > 41 45 P 0.68977374694981 0.25000000000000 0.48101217355773 30.974 > 1 46 P 0.68977374694981 0.75000000000000 0.48101217355773 30.974 > 1 47 P 0.68977374694981 0.25000000000000 0.98101217355773 30.974 > 1 48 P 0.68977374694981 0.75000000000000 0.98101217355773 30.974 > 1 49 P 0.01082012220563 0.25000000000000 0.47763513493920 30.974 > 5 50 P 0.01082012220563 0.75000000000000 0.47763513493920 30.974 > 5 51 P 0.01082012220563 0.25000000000000 0.97763513493920 30.974 > 5 52 P 0.01082012220563 0.75000000000000 0.97763513493920 30.974 > 5 53 P 0.41586581374214 0.25000000000000 0.13288297216361 30.974 > 9 54 P 0.41586581374214 0.75000000000000 0.13288297216361 30.974 > 9 55 P 0.41586581374214 0.25000000000000 0.63288297216361 30.974 > 9 56 P 0.41586581374214 0.75000000000000 0.63288297216361 30.974 > 9 57 P 0.97871885209949 0.37713549988081 0.23366382068189 30.974 > 13 58 P 0.97871885209949 0.87713549988081 0.23366382068189 30.974 > 13 59 P 0.97871885209949 0.37713549988081 0.73366382068189 30.974 > 13 60 P 0.97871885209949 0.87713549988081 0.73366382068189 30.974 > 13 61 P 0.97871885209949 0.12286450011919 0.23366382068189 30.974 > 17 62 P 0.97871885209949 0.62286450011919 0.23366382068189 30.974 > 17 63 P 0.97871885209949 0.12286450011919 0.73366382068189 30.974 > 17 64 P 0.97871885209949 0.62286450011919 0.73366382068189 30.974 > 17 65 P 0.73678181992998 0.32502085531924 0.24544026434814 30.974 > 21 66 P 0.73678181992998 0.82502085531924 0.24544026434814 30.974 > 21 67 P 0.73678181992998 0.32502085531924 0.74544026434814 30.974 > 21 68 P 0.73678181992998 0.82502085531924 0.74544026434814 30.974 > 21 69 P 0.73678181992998 0.17497914468076 0.24544026434814 30.974 > 25 70 P 0.73678181992998 0.67497914468076 0.24544026434814 30.974 > 25 71 P 0.73678181992998 0.17497914468076 0.74544026434814 30.974 > 25 72 P 0.73678181992998 0.67497914468076 0.74544026434814 30.974 > 25 73 P 0.16791609232251 0.11215386564922 0.36485854095004 30.974 > 29 74 P 0.16791609232251 0.61215386564922 0.36485854095004 30.974 > 29 75 P 0.16791609232251 0.11215386564922 0.86485854095004 30.974 > 29 76 P 0.16791609232251 0.61215386564922 0.86485854095004 30.974 > 29 77 P 0.16791609232251 0.38784613435078 0.36485854095004 30.974 > 33 78 P 0.16791609232251 0.88784613435078 0.36485854095004 30.974 > 33 79 P 0.16791609232251 0.38784613435078 0.86485854095004 30.974 > 33 80 P 0.16791609232251 0.88784613435078 0.86485854095004 30.974 > 33 81 P 0.92060164729760 0.36546633303364 0.36916139637790 30.974 > 37 82 P 0.92060164729760 0.86546633303364 0.36916139637790 30.974 > 37 83 P 0.92060164729760 0.36546633303364 0.86916139637790 30.974 > 37 84 P 0.92060164729760 0.86546633303364 0.86916139637790 30.974 > 37 85 P 0.92060164729760 0.13453366696636 0.36916139637790 30.974 > 41 86 P 0.92060164729760 0.63453366696636 0.36916139637790 30.974 > 41 87 P 0.92060164729760 0.13453366696636 0.86916139637790 30.974 > 41 88 P 0.92060164729760 0.63453366696636 0.86916139637790 30.974 > 41 89 Ag 0.70675900648209 0.00000000000000 0.48330007495997 107.868 > 89 90 Ag 0.70675900648209 0.50000000000000 0.48330007495997 107.868 > 89 91 Ag 0.70675900648209 0.00000000000000 0.98330007495997 107.868 > 89 92 Ag 0.70675900648209 0.50000000000000 0.98330007495997 107.868 > 89 93 Ag 0.40987403977778 0.00000000000000 0.09941243370301 107.868 > 93 94 Ag 0.40987403977778 0.50000000000000 0.09941243370301 107.868 > 93 95 Ag 0.40987403977778 0.00000000000000 0.59941243370301 107.868 > 93 96 Ag 0.40987403977778 0.50000000000000 0.59941243370301 107.868 > 93 97 Ag 0.00287047754334 0.00000000000000 0.49930916596051 107.868 > 97 98 Ag 0.00287047754334 0.50000000000000 0.49930916596051 107.868 > 97 99 Ag 0.00287047754334 0.00000000000000 0.99930916596051 107.868 > 97 100 Ag 0.00287047754334 0.50000000000000 0.99930916596051 107.868 > 97 101 Ag 0.20675900648209 0.25000000000000 0.48330007495997 107.868 > 89 102 Ag 0.20675900648209 0.75000000000000 0.48330007495997 107.868 > 89 103 Ag 0.20675900648209 0.25000000000000 0.98330007495997 107.868 > 89 104 Ag 0.20675900648209 0.75000000000000 0.98330007495997 107.868 > 89 105 Ag 0.90987403977778 0.25000000000000 0.09941243370301 107.868 > 93 106 Ag 0.90987403977778 0.75000000000000 0.09941243370301 107.868 > 93 107 Ag 0.90987403977778 0.25000000000000 0.59941243370301 107.868 > 93 108 Ag 0.90987403977778 0.75000000000000 0.59941243370301 107.868 > 93 109 Ag 0.50287047754334 0.25000000000000 0.49930916596051 107.868 > 97 110 Ag 0.50287047754334 0.75000000000000 0.49930916596051 107.868 > 97 111 Ag 0.50287047754334 0.25000000000000 0.99930916596051 107.868 > 97 112 Ag 0.50287047754334 0.75000000000000 0.99930916596051 107.868 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 13.4295317 0.0000000 -0.0283058 0.0000000 13.2258980 0.0000000 -0.0289818 0.0000000 12.8066557 -------------------------- Born effective charges -------------------------- 1 P -0.8436817 0.0000000 -0.3421622 0.0000000 -0.8069608 0.0000000 0.1723296 0.0000000 -0.4246785 2 P -1.0708642 0.0000000 0.1307812 0.0000000 -0.6542549 0.0000000 -0.0824261 0.0000000 -0.5111853 3 P -0.8944421 0.0000000 0.1594179 0.0000000 -0.8246142 0.0000000 0.1659035 0.0000000 -0.0039420 4 P -0.2123140 0.4401119 -0.0739670 -0.0456776 0.2276052 -0.1496503 -0.0558002 -0.2486556 -0.1680096 5 P -0.2123140 -0.4401119 -0.0739670 0.0456776 0.2276052 0.1496503 -0.0558002 0.2486556 -0.1680096 6 P 0.2286016 0.0981660 0.1636406 0.0531505 -0.6137971 0.7665507 -0.0001777 0.1586433 0.6730823 7 P 0.2286016 -0.0981660 0.1636406 -0.0531505 -0.6137971 -0.7665507 -0.0001777 -0.1586433 0.6730823 8 P 0.4605831 -0.2089298 0.0398906 -0.4448517 0.4451249 -0.4076801 0.2113648 -0.2559031 -0.2324653 9 P 0.4605831 0.2089298 0.0398906 0.4448517 0.4451249 0.4076801 0.2113648 0.2559031 -0.2324653 10 P 0.2424196 0.4929269 0.0004565 0.3730985 0.6060355 -0.3808126 -0.3717867 -0.2749550 -0.3402001 11 P 0.2424196 -0.4929269 0.0004565 -0.3730985 0.6060355 0.3808126 -0.3717867 0.2749550 -0.3402001 12 Ag 0.5685433 0.0000000 0.1384877 0.0000000 0.4516092 0.0000000 -0.0004508 0.0000000 0.4261593 13 Ag 0.2452243 0.0000000 -0.0872657 0.0000000 0.0844659 0.0000000 0.2015551 0.0000000 0.2964399 14 Ag 0.5566397 0.0000000 -0.2593003 0.0000000 0.4198180 0.0000000 -0.0241118 0.0000000 0.3523920 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000008 (xzx) 0.00000008 (xzx) 0.00000008 (xxz) Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 305, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/165) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.649 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 2.137 ( 0.000 0.000 0.000) 0.000 2.523 ( 0.000 0.000 -0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 3.128 ( 0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 -0.000) 0.000 4.054 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 -0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 -0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.417 ( 0.000 0.000 0.000) 0.000 7.604 ( 0.000 0.000 0.000) 0.000 7.607 ( 0.000 0.000 0.000) 0.000 8.021 ( 0.000 0.000 0.000) 0.000 8.165 ( 0.000 0.000 -0.000) 0.000 8.703 ( 0.000 0.000 0.000) 0.000 9.111 ( 0.000 0.000 0.000) 0.000 10.589 ( -0.000 0.000 0.000) 0.000 10.734 ( -0.000 0.000 -0.000) 0.000 11.686 ( 0.000 0.000 -0.000) 0.000 11.773 ( 0.000 0.000 0.000) 0.000 11.922 ( 0.000 0.000 0.000) 0.000 12.067 ( 0.000 0.000 0.000) 0.000 12.237 ( 0.000 0.000 0.000) 0.000 12.787 ( 0.000 0.000 0.000) 0.000 12.806 ( 0.000 0.000 0.000) 0.000 12.991 ( 0.000 0.000 0.000) 0.000 13.064 ( 0.000 0.000 0.000) 0.000 13.164 ( 0.000 0.000 0.000) 0.000 13.218 ( 0.000 0.000 -0.000) 0.000 13.786 ( -0.000 0.000 0.000) 0.000 14.044 ( -0.000 0.000 -0.000) 0.000 14.419 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/165) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 13.350 -23.072 1.479) 26.698 0.662 ( 23.843 -19.775 8.181) 32.039 0.993 ( 21.662 -38.208 13.084) 45.829 1.675 ( 2.940 -1.106 3.001) 4.344 1.903 ( 1.037 -1.752 -0.224) 2.048 2.234 ( 0.060 -9.991 0.598) 10.009 2.560 ( 0.029 -1.540 -0.012) 1.540 2.572 ( -0.387 -3.399 0.737) 3.500 2.754 ( 1.112 1.997 1.830) 2.928 2.975 ( 0.164 -9.918 3.994) 10.693 3.185 ( 8.291 -2.273 -1.290) 8.693 3.614 ( 2.251 0.178 0.158) 2.263 3.787 ( 1.839 2.270 -0.253) 2.933 4.004 ( -7.215 0.738 -1.710) 7.451 4.675 ( -1.907 2.390 0.464) 3.092 4.909 ( 0.569 -6.250 0.799) 6.326 5.910 ( -11.737 1.120 1.118) 11.843 6.057 ( 4.424 -0.823 2.246) 5.029 7.169 ( -8.558 -2.758 -0.475) 9.004 7.489 ( 6.774 -1.264 -0.746) 6.931 7.615 ( 1.878 0.130 0.173) 1.890 7.639 ( 0.697 -1.949 -0.113) 2.073 8.018 ( -0.666 0.936 1.925) 2.242 8.161 ( 0.972 0.974 -1.275) 1.876 8.704 ( 1.689 1.826 0.242) 2.499 9.116 ( 0.737 -0.141 -0.460) 0.881 10.538 ( -3.136 4.951 -1.466) 6.041 10.679 ( -1.024 3.952 -1.872) 4.491 11.656 ( -0.329 5.322 -0.849) 5.399 11.741 ( 1.104 0.539 -0.624) 1.378 11.952 ( 0.135 -1.378 -0.922) 1.663 12.047 ( 0.254 1.468 -1.055) 1.825 12.227 ( 0.240 1.108 0.367) 1.192 12.769 ( -0.132 1.187 -0.454) 1.278 12.827 ( 0.093 -1.889 -0.806) 2.056 12.989 ( -0.446 1.059 0.014) 1.149 13.069 ( -0.119 -0.225 0.035) 0.256 13.137 ( -0.156 2.528 -0.460) 2.574 13.274 ( -0.250 -3.604 0.383) 3.633 13.774 ( 0.829 1.957 -0.010) 2.126 14.069 ( 1.861 -0.816 0.883) 2.216 14.405 ( -2.661 0.265 0.318) 2.692 ======================= Grid point 2 (3/165) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 8.498 -17.266 1.342) 19.290 1.179 ( 16.444 -14.900 3.996) 22.548 1.601 ( 2.034 -8.896 4.669) 10.251 1.882 ( 16.337 -8.254 4.070) 18.751 2.037 ( 3.386 -16.202 5.374) 17.402 2.414 ( 0.719 -8.945 1.549) 9.106 2.542 ( -5.098 0.563 0.339) 5.140 2.639 ( 1.852 -2.971 2.031) 4.047 2.806 ( 2.297 -4.099 1.255) 4.863 3.199 ( 0.635 -12.555 5.421) 13.690 3.327 ( 11.061 -2.974 -1.578) 11.562 3.648 ( 5.410 0.612 0.489) 5.467 3.806 ( 8.178 -1.118 -0.481) 8.268 3.900 ( -7.567 0.546 -2.085) 7.868 4.619 ( -3.620 1.630 0.809) 4.051 5.017 ( -1.768 -5.916 0.775) 6.223 5.722 ( -19.806 3.568 1.770) 20.202 6.140 ( 5.654 -1.059 2.907) 6.445 7.159 ( -6.178 -5.263 -0.307) 8.122 7.548 ( 3.270 -0.120 -0.528) 3.315 7.632 ( 1.025 0.019 0.650) 1.214 7.711 ( 4.348 -2.956 0.020) 5.258 8.008 ( -0.467 0.677 2.515) 2.646 8.148 ( 1.174 0.495 -1.487) 1.958 8.688 ( 1.144 1.980 0.539) 2.349 9.126 ( 0.780 -0.438 -0.418) 0.988 10.333 ( -5.598 11.431 -4.600) 13.534 10.609 ( -0.936 2.428 -0.718) 2.699 11.527 ( -1.259 7.119 -1.484) 7.380 11.767 ( 3.219 -0.607 -0.896) 3.396 11.914 ( -2.006 2.947 -1.926) 4.052 12.035 ( 1.301 1.231 -0.641) 1.902 12.229 ( 0.902 -0.780 0.296) 1.229 12.747 ( -0.201 0.872 -0.529) 1.040 12.852 ( -0.054 -1.517 -1.285) 1.989 12.970 ( 0.461 1.205 0.363) 1.340 13.056 ( -0.513 1.829 0.103) 1.902 13.095 ( -0.394 1.148 -1.169) 1.685 13.346 ( 0.245 -4.448 1.143) 4.599 13.736 ( 0.843 3.502 -0.248) 3.610 14.118 ( 4.363 -0.558 1.556) 4.666 14.366 ( -4.987 0.080 0.380) 5.002 ======================= Grid point 3 (4/165) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 3.043 -6.390 1.286) 7.194 1.521 ( 7.259 -9.283 -0.721) 11.806 1.713 ( 1.587 -6.450 1.941) 6.920 2.093 ( 10.049 -2.268 3.145) 10.771 2.297 ( 2.299 -0.077 3.443) 4.140 2.467 ( -7.201 0.313 -0.785) 7.250 2.605 ( 0.903 -11.879 2.349) 12.143 2.737 ( 2.381 -3.950 2.472) 5.233 2.897 ( 1.080 -3.313 0.722) 3.559 3.380 ( 3.120 -1.604 1.362) 3.763 3.466 ( 0.973 -8.649 1.876) 8.903 3.703 ( 7.691 0.822 0.034) 7.735 3.786 ( -6.504 0.722 -1.427) 6.698 4.079 ( 23.654 -8.845 -0.278) 25.255 4.562 ( -4.346 0.821 0.880) 4.509 5.028 ( -11.456 -0.609 0.327) 11.476 5.477 ( -14.872 3.800 1.246) 15.401 6.216 ( 3.648 -0.743 1.914) 4.186 7.213 ( -2.475 -5.569 0.179) 6.097 7.565 ( 1.670 0.410 -0.329) 1.751 7.634 ( 0.055 0.827 0.684) 1.074 7.768 ( 1.632 -0.129 -0.824) 1.833 8.021 ( 0.035 -0.379 2.695) 2.721 8.174 ( 2.602 -2.475 -0.914) 3.705 8.666 ( 0.457 1.812 0.291) 1.891 9.142 ( 0.674 -0.666 -0.086) 0.951 10.063 ( -4.711 10.199 -4.245) 12.010 10.568 ( -0.657 1.288 -0.231) 1.464 11.407 ( -0.761 4.685 -1.108) 4.874 11.798 ( 2.756 0.253 -0.799) 2.881 11.837 ( -1.879 1.922 -1.498) 3.077 12.012 ( 0.387 1.759 -0.157) 1.808 12.265 ( 1.114 -1.625 0.267) 1.988 12.732 ( 0.006 0.440 -0.417) 0.606 12.858 ( -0.765 -0.483 -0.797) 1.205 12.965 ( 0.902 0.440 -0.064) 1.006 13.016 ( 0.258 2.095 0.133) 2.115 13.075 ( -0.892 0.136 -0.730) 1.161 13.430 ( 0.129 -4.335 1.145) 4.486 13.676 ( 0.446 3.892 -0.506) 3.950 14.183 ( 6.199 0.083 1.470) 6.371 14.313 ( -6.485 -0.344 -0.052) 6.494 ======================= Grid point 4 (5/165) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.000 -0.000 0.000) 0.000 1.603 ( 0.000 -0.000 -0.000) 0.000 1.845 ( 0.000 -0.000 0.000) 0.000 2.135 ( 0.000 -0.000 0.000) 0.000 2.347 ( 0.000 -0.000 0.000) 0.000 2.376 ( -0.000 0.000 -0.000) 0.000 2.725 ( 0.000 -0.000 0.000) 0.000 2.798 ( 0.000 -0.000 0.000) 0.000 2.932 ( 0.000 -0.000 0.000) 0.000 3.397 ( 0.000 -0.000 0.000) 0.000 3.583 ( 0.000 -0.000 0.000) 0.000 3.687 ( 0.000 0.000 -0.000) 0.000 3.777 ( -0.000 -0.000 0.000) 0.000 4.363 ( 0.000 -0.000 0.000) 0.000 4.532 ( -0.000 -0.000 0.000) 0.000 4.888 ( 0.000 -0.000 0.000) 0.000 5.384 ( 0.000 -0.000 0.000) 0.000 6.246 ( 0.000 -0.000 0.000) 0.000 7.258 ( 0.000 -0.000 0.000) 0.000 7.568 ( 0.000 -0.000 0.000) 0.000 7.624 ( 0.000 -0.000 0.000) 0.000 7.767 ( 0.000 -0.000 0.000) 0.000 8.033 ( 0.000 -0.000 0.000) 0.000 8.222 ( 0.000 -0.000 0.000) 0.000 8.650 ( 0.000 -0.000 0.000) 0.000 9.153 ( 0.000 -0.000 -0.000) 0.000 9.930 ( 0.000 -0.000 -0.000) 0.000 10.553 ( 0.000 -0.000 0.000) 0.000 11.359 ( 0.000 -0.000 0.000) 0.000 11.794 ( 0.000 -0.000 0.000) 0.000 11.819 ( 0.000 -0.000 0.000) 0.000 11.997 ( 0.000 -0.000 -0.000) 0.000 12.288 ( 0.000 -0.000 0.000) 0.000 12.728 ( 0.000 -0.000 -0.000) 0.000 12.854 ( 0.000 -0.000 0.000) 0.000 12.965 ( 0.000 -0.000 0.000) 0.000 13.003 ( -0.000 -0.000 -0.000) 0.000 13.066 ( 0.000 -0.000 -0.000) 0.000 13.480 ( 0.000 -0.000 0.000) 0.000 13.634 ( 0.000 -0.000 0.000) 0.000 14.239 ( -0.000 -0.000 -0.000) 0.000 14.261 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/165) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 22.570 0.000 10.891) 25.060 0.620 ( 21.710 0.000 14.390) 26.046 1.175 ( 36.362 0.000 14.364) 39.096 1.734 ( 5.115 0.000 6.675) 8.409 1.925 ( 7.107 0.000 1.291) 7.223 2.141 ( -0.350 -0.000 1.232) 1.281 2.526 ( 0.086 0.000 0.391) 0.401 2.546 ( -2.922 -0.000 0.705) 3.006 2.853 ( 5.958 0.000 3.261) 6.792 2.909 ( 0.886 0.000 8.285) 8.332 3.282 ( 17.884 0.000 -2.418) 18.047 3.651 ( 4.617 0.000 1.049) 4.734 3.822 ( 2.311 0.000 -0.319) 2.333 3.898 ( -12.073 -0.000 -2.127) 12.259 4.676 ( -4.437 -0.000 0.756) 4.501 4.858 ( 0.658 0.000 0.813) 1.046 5.772 ( -19.765 -0.000 2.496) 19.922 6.131 ( 7.539 0.000 4.644) 8.855 7.055 ( -8.032 -0.000 -0.758) 8.068 7.527 ( 4.288 0.000 -0.237) 4.295 7.637 ( 1.836 0.000 -0.030) 1.836 7.647 ( 5.070 0.000 0.231) 5.075 8.029 ( -2.044 -0.000 3.312) 3.892 8.173 ( 1.343 0.000 -2.813) 3.117 8.738 ( 0.806 0.000 -0.021) 0.806 9.124 ( 1.436 0.000 -1.108) 1.814 10.520 ( -6.614 -0.000 -2.969) 7.250 10.682 ( -2.165 -0.000 -3.717) 4.302 11.716 ( -4.604 -0.000 -1.970) 5.008 11.722 ( 4.226 0.000 -1.655) 4.539 11.955 ( 4.013 0.000 -0.976) 4.130 12.046 ( -0.676 -0.000 -1.961) 2.074 12.242 ( -0.032 -0.000 0.093) 0.098 12.781 ( 0.328 0.000 -1.419) 1.456 12.798 ( -0.289 -0.000 -0.736) 0.791 12.992 ( -0.244 -0.000 0.546) 0.598 13.069 ( 0.165 0.000 0.009) 0.166 13.164 ( -1.142 -0.000 -0.149) 1.152 13.231 ( 1.004 0.000 0.353) 1.064 13.796 ( 0.424 0.000 -0.311) 0.527 14.102 ( 5.132 0.000 2.254) 5.605 14.374 ( -4.834 -0.000 0.733) 4.890 ======================= Grid point 11 (7/165) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 18.145 -8.820 4.638) 20.701 1.115 ( 14.679 -18.038 9.485) 25.116 1.519 ( 8.450 -7.008 6.241) 12.628 1.828 ( 2.228 -5.306 2.043) 6.107 2.098 ( 18.433 -0.879 9.307) 20.668 2.255 ( 1.725 -10.643 3.242) 11.259 2.504 ( -5.364 0.470 1.186) 5.513 2.588 ( 0.500 -5.791 1.163) 5.928 2.855 ( 3.602 4.604 5.170) 7.804 3.083 ( 3.348 -8.585 7.909) 12.143 3.464 ( 19.116 2.233 -3.149) 19.502 3.719 ( 7.890 -0.146 1.818) 8.098 3.791 ( -6.816 -0.803 -0.620) 6.891 3.868 ( 8.204 -2.966 -0.260) 8.728 4.606 ( -6.330 1.644 0.746) 6.582 4.906 ( -1.972 -4.472 0.131) 4.889 5.562 ( -23.527 1.183 2.956) 23.741 6.229 ( 7.496 0.872 5.409) 9.285 7.017 ( -5.441 -3.952 -0.633) 6.754 7.560 ( 1.194 -0.734 -0.022) 1.402 7.653 ( 1.991 0.462 0.701) 2.161 7.720 ( 5.459 -1.894 -0.053) 5.779 8.023 ( -2.171 0.437 4.203) 4.751 8.160 ( 1.303 0.828 -3.123) 3.483 8.732 ( 0.617 1.538 0.687) 1.795 9.133 ( 1.770 0.096 -0.780) 1.936 10.371 ( -9.416 5.433 -6.366) 12.598 10.625 ( -1.996 1.780 -2.113) 3.409 11.599 ( -3.875 5.234 -2.902) 7.130 11.774 ( 3.838 -1.427 -2.579) 4.839 11.956 ( 1.627 3.608 -1.485) 4.228 12.052 ( 2.227 -0.979 -1.049) 2.650 12.233 ( 0.126 0.481 -0.304) 0.583 12.759 ( 0.171 1.181 -0.958) 1.530 12.815 ( 0.123 -1.835 -1.571) 2.419 12.987 ( -0.393 0.556 0.639) 0.934 13.067 ( -0.352 0.330 0.174) 0.513 13.120 ( -0.851 2.570 -1.016) 2.892 13.283 ( 0.284 -3.809 0.839) 3.911 13.779 ( -0.467 1.645 -0.679) 1.840 14.181 ( 7.392 -0.128 2.713) 7.876 14.321 ( -6.139 0.463 0.974) 6.233 ======================= Grid point 12 (8/165) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 10.226 -6.993 2.557) 12.650 1.469 ( 10.066 -7.142 1.983) 12.500 1.667 ( 1.024 -4.051 3.917) 5.727 2.038 ( 1.627 -14.334 1.459) 14.499 2.318 ( 7.337 -4.852 3.756) 9.565 2.395 ( -5.824 -0.049 0.773) 5.875 2.515 ( 4.076 -4.517 5.770) 8.385 2.712 ( 2.615 -4.975 4.031) 6.916 2.854 ( 0.328 -0.656 2.373) 2.484 3.293 ( -0.363 -8.961 6.163) 10.882 3.475 ( 1.769 2.793 -1.917) 3.822 3.756 ( 1.060 1.818 1.035) 2.345 3.806 ( 7.194 0.926 1.334) 7.376 4.181 ( 27.372 -8.688 -0.098) 28.717 4.527 ( -6.056 0.386 0.587) 6.096 4.918 ( -6.779 -0.945 0.077) 6.845 5.359 ( -16.254 -0.588 2.145) 16.406 6.288 ( 4.154 2.209 4.368) 6.420 7.070 ( -3.271 -7.196 0.085) 7.905 7.576 ( 0.487 -0.274 0.067) 0.563 7.665 ( 1.814 1.000 0.977) 2.290 7.786 ( 3.191 -0.460 -0.879) 3.341 8.024 ( -1.789 -0.311 4.026) 4.417 8.153 ( 1.125 -0.909 -2.198) 2.631 8.707 ( 0.111 2.282 0.330) 2.309 9.147 ( 1.718 -0.012 -0.192) 1.728 10.122 ( -8.826 8.051 -6.937) 13.814 10.573 ( -1.899 1.138 -0.826) 2.363 11.460 ( -3.258 4.932 -2.764) 6.525 11.811 ( 3.100 -0.644 -2.687) 4.153 11.885 ( 0.636 4.532 -1.179) 4.726 12.060 ( 2.066 2.520 -0.348) 3.277 12.248 ( 1.092 -1.696 -0.173) 2.025 12.741 ( 0.390 0.788 -0.666) 1.103 12.834 ( 0.012 -1.261 -1.389) 1.876 12.976 ( -0.495 0.537 0.352) 0.811 13.041 ( -1.647 1.778 -0.176) 2.430 13.079 ( 0.432 0.947 -0.595) 1.198 13.359 ( -0.257 -4.596 1.125) 4.739 13.729 ( -0.961 2.945 -0.890) 3.223 14.250 ( -4.510 0.597 1.035) 4.666 14.272 ( 6.159 0.533 1.993) 6.496 ======================= Grid point 13 (9/165) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 4.921 -0.089 1.613) 5.179 1.592 ( 0.451 -1.480 0.684) 1.692 1.813 ( 7.656 -6.833 -0.245) 10.265 2.158 ( -6.683 2.477 2.471) 7.544 2.323 ( -5.701 1.354 0.395) 5.873 2.416 ( 5.421 -1.802 1.544) 5.918 2.657 ( 2.024 -5.549 1.966) 6.226 2.829 ( 3.511 -1.740 3.236) 5.082 2.895 ( -1.388 -2.635 -0.011) 2.978 3.364 ( -6.029 -2.606 0.858) 6.624 3.518 ( 3.020 -3.809 1.083) 4.980 3.732 ( 1.215 2.421 1.997) 3.365 3.848 ( 4.973 3.124 1.034) 5.963 4.326 ( -11.938 3.398 0.376) 12.418 4.560 ( 3.974 -0.114 -1.054) 4.113 4.936 ( 15.357 -3.480 0.166) 15.747 5.330 ( -1.012 -4.889 0.929) 5.079 6.282 ( -0.200 2.935 2.401) 3.797 7.170 ( -2.721 -7.357 0.438) 7.856 7.578 ( 0.049 0.524 -0.018) 0.526 7.661 ( 1.787 2.199 0.803) 2.945 7.788 ( 1.975 1.589 -1.202) 2.805 8.029 ( -1.860 -0.001 1.987) 2.722 8.188 ( -0.708 -2.780 -0.925) 3.014 8.666 ( -0.491 2.075 -0.194) 2.141 9.161 ( 1.166 0.250 0.175) 1.205 9.922 ( -4.672 2.805 -3.521) 6.488 10.544 ( -1.377 -0.062 -0.297) 1.410 11.360 ( -2.182 1.975 -1.699) 3.398 11.816 ( 0.144 2.332 -0.453) 2.380 11.835 ( 2.531 0.634 -1.210) 2.876 12.023 ( 0.896 2.717 -0.286) 2.875 12.283 ( 0.717 -0.843 -0.242) 1.133 12.733 ( 0.394 0.455 -0.278) 0.663 12.849 ( 0.698 -0.946 -0.318) 1.218 12.963 ( -0.916 0.205 -0.414) 1.026 12.995 ( -2.250 1.077 -0.287) 2.511 13.079 ( 1.229 0.258 0.344) 1.302 13.437 ( -0.522 -4.293 0.837) 4.405 13.660 ( -1.102 3.245 -0.863) 3.534 14.186 ( -5.717 0.475 0.047) 5.736 14.342 ( 7.334 1.145 1.452) 7.564 ======================= Grid point 14 (10/165) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 3.011 5.287 0.394) 6.098 1.575 ( -3.457 2.738 0.197) 4.414 1.869 ( 0.478 11.069 2.387) 11.333 2.014 ( -7.025 1.727 -3.049) 7.850 2.240 ( -3.366 -0.815 -1.227) 3.675 2.522 ( 5.362 -1.816 1.841) 5.953 2.717 ( -0.415 0.537 0.066) 0.681 2.811 ( 0.294 7.614 -0.432) 7.632 2.905 ( -1.287 -0.223 -0.966) 1.625 3.356 ( -3.011 -1.239 0.198) 3.262 3.546 ( -1.031 1.656 -0.486) 2.011 3.720 ( 0.848 7.439 2.221) 7.810 3.827 ( 2.048 -1.308 1.469) 2.839 4.036 ( -16.596 10.264 -0.926) 19.536 4.576 ( 2.272 -1.025 -0.325) 2.514 5.112 ( 5.375 -1.089 -1.988) 5.834 5.538 ( 19.723 -6.890 0.790) 20.907 6.216 ( -3.983 3.266 0.424) 5.168 7.244 ( -1.389 -3.422 0.262) 3.702 7.559 ( -0.629 1.282 0.216) 1.445 7.645 ( 1.643 1.742 -0.093) 2.396 7.778 ( 0.978 1.291 -0.105) 1.623 8.007 ( -2.092 0.462 -0.969) 2.351 8.180 ( -3.150 0.952 0.027) 3.290 8.643 ( -0.378 -0.121 -0.285) 0.489 9.155 ( 0.196 1.180 0.059) 1.197 9.941 ( 0.451 -8.264 0.877) 8.323 10.546 ( -0.557 -1.360 -0.035) 1.470 11.344 ( -0.870 -2.616 -0.395) 2.785 11.782 ( -1.145 0.957 0.047) 1.493 11.856 ( 2.731 -0.089 0.750) 2.833 11.999 ( 0.118 0.429 -0.355) 0.570 12.278 ( -0.538 1.179 -0.496) 1.388 12.731 ( 0.263 0.006 0.177) 0.317 12.874 ( 1.697 -0.293 0.266) 1.743 12.948 ( -2.005 0.083 0.262) 2.024 12.973 ( -1.277 -1.679 -0.616) 2.197 13.091 ( 1.202 0.153 0.593) 1.349 13.474 ( -0.389 0.751 -0.175) 0.863 13.617 ( -1.254 -1.090 -0.292) 1.687 14.130 ( -4.052 0.308 -0.515) 4.096 14.388 ( 5.456 1.349 0.586) 5.650 ======================= Grid point 15 (11/165) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 0.118 13.980 -1.291) 14.040 1.350 ( -8.644 17.946 1.115) 19.950 1.703 ( 1.900 7.567 -0.493) 7.817 1.849 ( -8.713 5.766 -2.039) 10.645 2.231 ( -0.861 4.857 -2.350) 5.464 2.565 ( -0.191 12.587 -0.798) 12.614 2.589 ( 2.755 2.192 0.476) 3.553 2.679 ( -1.558 4.283 -0.735) 4.616 2.857 ( -1.145 3.686 -0.895) 3.962 3.309 ( -2.948 4.578 1.208) 5.577 3.451 ( 2.579 12.655 -2.839) 13.224 3.588 ( -4.081 0.905 1.340) 4.389 3.765 ( -8.377 4.526 0.023) 9.521 3.933 ( 4.255 -3.660 1.100) 5.720 4.620 ( 2.143 -1.309 -0.232) 2.522 5.099 ( -0.225 3.194 -1.235) 3.432 5.820 ( 15.646 -4.087 -0.269) 16.173 6.116 ( -5.218 2.681 -0.658) 5.903 7.270 ( 2.780 0.729 0.193) 2.880 7.528 ( -2.094 1.410 0.427) 2.561 7.628 ( -0.191 1.167 -0.589) 1.321 7.736 ( -1.557 3.411 0.027) 3.750 7.983 ( -0.953 -0.764 -1.033) 1.599 8.141 ( -1.043 0.478 0.362) 1.203 8.650 ( -0.542 -1.170 -0.235) 1.311 9.136 ( -0.108 1.046 0.115) 1.058 10.165 ( 1.873 -14.378 1.889) 14.622 10.576 ( 0.055 -2.349 0.096) 2.352 11.420 ( 0.133 -6.575 0.297) 6.583 11.755 ( -1.676 0.769 0.194) 1.854 11.904 ( 2.333 -2.006 1.130) 3.278 12.005 ( -0.544 -1.213 -0.046) 1.330 12.240 ( -0.764 1.806 -0.379) 1.997 12.740 ( 0.246 -0.511 0.239) 0.615 12.879 ( 0.352 1.127 0.417) 1.252 12.940 ( -0.963 -1.153 -0.118) 1.507 13.013 ( 0.083 -3.369 0.107) 3.372 13.100 ( 0.537 0.193 0.483) 0.748 13.414 ( -0.338 4.557 -0.604) 4.609 13.660 ( -0.879 -4.258 -0.016) 4.348 14.092 ( -1.939 0.452 -0.521) 2.058 14.411 ( 2.862 0.915 0.045) 3.005 ======================= Grid point 16 (12/165) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 0.000 23.465 0.000) 23.465 0.928 ( 0.000 25.934 0.000) 25.934 1.504 ( 0.000 25.509 0.000) 25.509 1.692 ( 0.000 4.611 0.000) 4.611 1.996 ( 0.000 12.528 0.000) 12.528 2.396 ( 0.000 8.288 0.000) 8.288 2.587 ( 0.000 1.845 0.000) 1.845 2.613 ( 0.000 1.826 0.000) 1.826 2.774 ( 0.000 4.470 0.000) 4.470 3.186 ( 0.000 16.001 0.000) 16.001 3.208 ( 0.000 4.937 0.000) 4.937 3.593 ( -0.000 -1.094 -0.000) 1.094 3.726 ( -0.000 -2.754 -0.000) 2.754 4.015 ( -0.000 -2.588 -0.000) 2.588 4.651 ( -0.000 -1.405 -0.000) 1.405 5.012 ( 0.000 6.209 0.000) 6.209 5.945 ( -0.000 -1.771 -0.000) 1.771 6.047 ( 0.000 1.542 0.000) 1.542 7.269 ( 0.000 2.547 0.000) 2.547 7.475 ( 0.000 2.245 0.000) 2.245 7.607 ( 0.000 0.496 0.000) 0.496 7.674 ( 0.000 2.683 0.000) 2.683 7.998 ( -0.000 -1.307 -0.000) 1.307 8.145 ( -0.000 -0.852 -0.000) 0.852 8.669 ( -0.000 -1.509 -0.000) 1.509 9.122 ( 0.000 0.655 0.000) 0.655 10.414 ( -0.000 -12.341 -0.000) 12.341 10.623 ( -0.000 -3.247 -0.000) 3.247 11.548 ( -0.000 -7.807 -0.000) 7.807 11.733 ( 0.000 0.546 0.000) 0.546 11.961 ( -0.000 -1.952 -0.000) 1.952 12.018 ( -0.000 -1.108 -0.000) 1.108 12.215 ( 0.000 0.314 0.000) 0.314 12.753 ( -0.000 -0.881 -0.000) 0.881 12.858 ( 0.000 1.587 0.000) 1.587 12.963 ( -0.000 -1.886 -0.000) 1.886 13.064 ( -0.000 -1.825 -0.000) 1.825 13.105 ( -0.000 -0.932 -0.000) 0.932 13.335 ( 0.000 4.186 0.000) 4.186 13.723 ( -0.000 -3.570 -0.000) 3.570 14.071 ( 0.000 0.751 0.000) 0.751 14.416 ( 0.000 0.149 0.000) 0.149 ======================= Grid point 19 (13/165) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 16.785 0.000 4.895) 17.484 1.110 ( 14.338 0.000 10.397) 17.711 1.571 ( 4.261 0.000 4.483) 6.185 1.809 ( 0.932 0.000 -0.256) 0.966 2.147 ( -0.652 -0.000 1.758) 1.875 2.366 ( 14.265 0.000 10.361) 17.630 2.479 ( -0.670 -0.000 5.143) 5.187 2.531 ( 0.048 0.000 0.091) 0.103 3.024 ( 0.535 0.000 9.077) 9.092 3.025 ( 3.504 0.000 4.828) 5.965 3.559 ( -4.693 -0.000 -3.266) 5.718 3.796 ( 7.089 0.000 2.324) 7.460 3.879 ( 3.571 0.000 1.303) 3.802 3.933 ( 35.347 0.000 0.916) 35.359 4.542 ( -10.022 -0.000 0.103) 10.023 4.862 ( 0.675 0.000 0.394) 0.781 5.357 ( -23.190 -0.000 3.634) 23.473 6.341 ( 5.810 0.000 6.287) 8.561 6.932 ( -4.095 -0.000 -0.748) 4.163 7.562 ( 0.557 0.000 0.425) 0.701 7.685 ( 2.478 0.000 0.828) 2.612 7.751 ( 4.237 0.000 -0.126) 4.239 8.027 ( -2.837 -0.000 5.224) 5.945 8.160 ( 0.931 0.000 -3.797) 3.910 8.752 ( -0.079 -0.000 0.686) 0.690 9.151 ( 2.376 0.000 -0.681) 2.472 10.273 ( -11.533 -0.000 -7.845) 13.949 10.604 ( -2.538 -0.000 -2.365) 3.469 11.574 ( -6.021 -0.000 -3.683) 7.058 11.786 ( 4.923 0.000 -4.163) 6.447 12.013 ( -0.545 -0.000 -1.879) 1.957 12.059 ( 6.853 0.000 0.551) 6.876 12.234 ( -0.277 -0.000 -0.915) 0.956 12.776 ( 0.951 0.000 -1.686) 1.936 12.785 ( -0.003 -0.000 -0.973) 0.973 12.989 ( -0.969 -0.000 0.883) 1.311 13.065 ( -0.913 -0.000 0.184) 0.931 13.126 ( -1.991 -0.000 -0.963) 2.212 13.257 ( 1.102 0.000 0.561) 1.237 13.777 ( -1.577 -0.000 -0.911) 1.821 14.271 ( -6.296 -0.000 1.359) 6.441 14.278 ( 8.941 0.000 3.014) 9.435 ======================= Grid point 20 (14/165) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 12.772 -3.149 1.925) 13.295 1.428 ( 8.926 -12.969 5.345) 16.626 1.626 ( -0.623 -2.600 4.466) 5.205 1.858 ( 2.120 -5.831 -0.772) 6.252 2.223 ( -1.335 -7.232 1.339) 7.475 2.386 ( -3.958 0.687 1.347) 4.237 2.554 ( 3.525 -2.319 2.277) 4.795 2.678 ( 8.749 -4.785 8.626) 13.185 2.945 ( -0.483 6.687 5.194) 8.481 3.180 ( -2.532 -6.842 5.165) 8.939 3.492 ( -1.621 0.894 -0.271) 1.871 3.836 ( 2.530 2.012 -0.449) 3.264 3.919 ( 7.961 2.343 4.925) 9.650 4.316 ( 18.963 -2.460 -1.668) 19.195 4.464 ( -1.116 -3.168 -0.660) 3.423 4.913 ( 8.329 0.229 2.522) 8.705 5.191 ( -14.915 -2.357 3.142) 15.423 6.385 ( 0.676 2.457 5.107) 5.708 6.936 ( -2.938 -4.753 -0.283) 5.595 7.573 ( 0.302 -0.461 0.406) 0.684 7.707 ( 2.346 0.770 0.820) 2.602 7.796 ( 2.717 -1.276 -0.324) 3.019 8.025 ( -2.641 0.262 4.827) 5.508 8.143 ( 0.351 0.290 -2.929) 2.964 8.739 ( -0.606 1.441 0.227) 1.580 9.170 ( 2.455 0.316 -0.121) 2.478 10.084 ( -10.682 3.841 -7.913) 13.837 10.561 ( -2.403 0.712 -1.480) 2.910 11.471 ( -4.697 3.048 -3.503) 6.605 11.813 ( 3.505 -0.767 -3.868) 5.276 11.960 ( 0.245 3.995 -1.205) 4.180 12.126 ( 4.731 1.533 0.219) 4.978 12.232 ( 0.839 -1.099 -0.472) 1.461 12.758 ( 0.750 1.083 -1.000) 1.655 12.805 ( 0.558 -1.576 -1.357) 2.154 12.978 ( -1.426 0.502 0.737) 1.682 13.044 ( -2.504 0.951 0.086) 2.680 13.094 ( -0.228 0.785 -0.824) 1.161 13.298 ( 0.308 -2.989 0.719) 3.089 13.744 ( -1.826 1.244 -0.953) 2.406 14.213 ( -5.475 0.832 1.231) 5.673 14.374 ( 8.263 0.576 2.445) 8.636 ======================= Grid point 21 (15/165) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 6.971 -1.649 1.131) 7.252 1.580 ( -0.512 -0.841 1.618) 1.894 1.777 ( 8.152 -7.559 -0.174) 11.119 2.041 ( -3.351 -11.697 2.516) 12.425 2.263 ( -5.467 -1.108 0.320) 5.588 2.401 ( 0.061 -3.684 1.185) 3.870 2.645 ( 2.305 -3.196 1.462) 4.203 2.835 ( 4.353 -1.382 3.179) 5.565 2.886 ( -0.034 1.220 3.769) 3.962 3.239 ( -6.529 -4.043 1.966) 7.927 3.528 ( 5.131 -2.204 1.503) 5.783 3.799 ( -0.862 3.096 0.839) 3.321 3.966 ( 5.932 3.865 3.530) 7.911 4.272 ( -8.897 2.778 -1.171) 9.394 4.565 ( 0.170 -0.920 -1.492) 1.761 5.004 ( 3.352 -2.286 -0.720) 4.120 5.312 ( 20.203 -6.539 4.240) 21.654 6.333 ( -4.845 3.487 2.874) 6.625 7.013 ( -2.991 -7.488 0.079) 8.063 7.582 ( 0.125 -0.066 0.190) 0.237 7.713 ( 1.698 1.353 0.717) 2.287 7.829 ( 2.517 0.434 -0.611) 2.626 8.019 ( -2.665 0.069 2.815) 3.877 8.135 ( -0.692 -1.189 -1.521) 2.051 8.697 ( -0.967 2.392 -0.268) 2.594 9.185 ( 1.877 0.605 0.286) 1.993 9.894 ( -6.687 3.320 -5.055) 9.016 10.527 ( -1.724 0.168 -0.652) 1.851 11.366 ( -2.836 2.883 -2.309) 4.657 11.837 ( 2.150 -0.576 -1.962) 2.967 11.886 ( 0.414 4.134 -0.793) 4.230 12.095 ( 1.375 4.376 -0.400) 4.604 12.276 ( 1.887 -1.302 0.064) 2.293 12.746 ( 0.688 0.769 -0.604) 1.196 12.832 ( 0.923 -1.694 -0.560) 2.008 12.953 ( -1.734 0.708 -0.108) 1.877 12.995 ( -2.507 1.563 -0.154) 2.958 13.093 ( 0.885 -0.091 0.127) 0.899 13.361 ( -0.447 -4.225 0.585) 4.288 13.693 ( -1.350 2.445 -0.744) 2.890 14.154 ( -4.027 1.175 0.612) 4.240 14.438 ( 6.133 1.382 1.498) 6.463 ======================= Grid point 22 (16/165) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 4.419 2.051 0.665) 4.917 1.569 ( -2.944 0.563 0.298) 3.012 1.951 ( 4.182 -3.158 -2.545) 5.826 2.053 ( -1.309 3.763 3.218) 5.121 2.212 ( -6.225 3.321 -0.020) 7.056 2.493 ( 1.211 -6.386 0.704) 6.538 2.712 ( 1.302 -1.528 0.673) 2.118 2.868 ( -0.434 -1.095 0.067) 1.179 2.906 ( 1.193 1.889 1.029) 2.459 3.260 ( -3.699 -4.828 0.368) 6.093 3.615 ( 6.182 2.087 0.166) 6.527 3.757 ( -4.474 -2.253 2.378) 5.545 3.922 ( 3.242 8.754 2.228) 9.597 4.076 ( -8.293 8.905 -2.284) 12.381 4.567 ( 0.374 -1.375 0.089) 1.428 5.065 ( -1.167 -4.565 -1.768) 5.032 5.662 ( 22.458 -4.990 2.019) 23.094 6.220 ( -7.937 3.286 0.811) 8.628 7.117 ( -2.320 -7.983 0.108) 8.314 7.577 ( -0.057 0.873 0.037) 0.876 7.701 ( 1.087 2.167 0.412) 2.459 7.827 ( 2.547 2.245 -0.346) 3.413 7.992 ( -2.702 0.906 0.193) 2.857 8.147 ( -1.617 -1.595 -0.303) 2.292 8.652 ( -0.458 1.646 -0.233) 1.725 9.182 ( 0.631 1.385 0.133) 1.528 9.832 ( -1.734 -3.449 -1.136) 4.024 10.519 ( -0.747 -0.925 -0.167) 1.201 11.310 ( -1.089 0.216 -0.837) 1.390 11.811 ( -0.202 3.131 -0.160) 3.142 11.874 ( 1.651 -0.798 -0.258) 1.852 12.031 ( 0.195 3.509 -0.364) 3.533 12.292 ( 0.422 0.739 -0.175) 0.869 12.739 ( 0.321 0.462 -0.103) 0.572 12.877 ( 1.793 -2.099 0.294) 2.776 12.929 ( -1.170 0.011 -0.581) 1.306 12.948 ( -2.182 1.174 -0.003) 2.478 13.105 ( 0.723 -0.020 0.268) 0.771 13.432 ( -0.436 -4.277 0.221) 4.305 13.632 ( -0.720 3.149 -0.385) 3.253 14.108 ( -2.076 0.844 0.036) 2.241 14.462 ( 3.179 1.856 0.575) 3.726 ======================= Grid point 23 (17/165) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 0.000 7.681 0.000) 7.681 1.500 ( 0.000 5.803 0.000) 5.803 1.871 ( 0.000 7.162 0.000) 7.162 1.944 ( 0.000 13.523 0.000) 13.523 2.193 ( -0.000 -5.197 -0.000) 5.197 2.588 ( -0.000 -3.016 -0.000) 3.016 2.706 ( 0.000 2.753 0.000) 2.753 2.812 ( 0.000 9.840 0.000) 9.840 2.882 ( 0.000 0.236 0.000) 0.236 3.324 ( -0.000 -3.149 -0.000) 3.149 3.551 ( 0.000 5.779 0.000) 5.779 3.752 ( 0.000 12.087 0.000) 12.087 3.798 ( 0.000 3.138 0.000) 3.138 3.903 ( 0.000 1.025 0.000) 1.025 4.604 ( -0.000 -1.949 -0.000) 1.949 5.106 ( -0.000 -1.396 -0.000) 1.396 5.858 ( -0.000 -3.343 -0.000) 3.343 6.120 ( 0.000 2.701 0.000) 2.701 7.227 ( -0.000 -5.921 -0.000) 5.921 7.554 ( 0.000 1.766 0.000) 1.766 7.665 ( 0.000 2.827 0.000) 2.827 7.791 ( 0.000 3.526 0.000) 3.526 7.965 ( 0.000 0.028 0.000) 0.028 8.146 ( 0.000 0.431 0.000) 0.431 8.637 ( -0.000 -0.072 -0.000) 0.072 9.158 ( 0.000 1.587 0.000) 1.587 9.953 ( -0.000 -11.409 -0.000) 11.409 10.539 ( -0.000 -1.909 -0.000) 1.909 11.332 ( -0.000 -3.688 -0.000) 3.688 11.768 ( 0.000 1.739 0.000) 1.739 11.897 ( -0.000 -0.819 -0.000) 0.819 11.994 ( 0.000 0.629 0.000) 0.629 12.268 ( 0.000 1.901 0.000) 1.901 12.737 ( -0.000 -0.061 -0.000) 0.061 12.905 ( 0.000 1.474 0.000) 1.474 12.918 ( -0.000 -0.688 -0.000) 0.688 12.954 ( -0.000 -3.446 -0.000) 3.446 13.108 ( 0.000 0.175 0.000) 0.175 13.468 ( 0.000 1.065 0.000) 1.065 13.600 ( -0.000 -1.259 -0.000) 1.259 14.088 ( 0.000 0.426 0.000) 0.426 14.448 ( 0.000 1.711 0.000) 1.711 ======================= Grid point 28 (18/165) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 10.158 0.000 0.431) 10.167 1.381 ( 5.186 0.000 5.246) 7.377 1.616 ( -2.528 -0.000 2.805) 3.776 1.848 ( 3.610 0.000 -0.916) 3.724 2.157 ( -0.126 -0.000 1.425) 1.430 2.356 ( -3.951 -0.000 0.984) 4.072 2.530 ( -0.025 -0.000 -0.156) 0.158 2.796 ( 8.322 0.000 7.842) 11.435 3.030 ( -5.391 -0.000 3.342) 6.343 3.108 ( 0.444 0.000 4.704) 4.725 3.500 ( 1.707 0.000 1.601) 2.341 3.850 ( -1.494 -0.000 -0.743) 1.669 4.042 ( 6.294 0.000 5.493) 8.354 4.343 ( -7.069 -0.000 -1.127) 7.159 4.468 ( 9.477 0.000 -4.967) 10.700 5.035 ( -13.102 -0.000 2.711) 13.380 5.150 ( 30.683 0.000 5.469) 31.167 6.407 ( -6.212 -0.000 3.912) 7.341 6.869 ( -1.939 -0.000 -0.349) 1.970 7.575 ( 0.324 0.000 0.450) 0.555 7.739 ( 2.010 0.000 0.393) 2.048 7.802 ( 1.503 0.000 -0.142) 1.510 8.031 ( -2.220 -0.000 4.558) 5.070 8.134 ( 0.123 0.000 -2.367) 2.370 8.743 ( -1.083 -0.000 -0.101) 1.087 9.198 ( 2.484 0.000 0.172) 2.490 9.974 ( -9.189 -0.000 -6.927) 11.507 10.537 ( -2.084 -0.000 -1.343) 2.479 11.435 ( -3.892 -0.000 -3.018) 4.925 11.815 ( 2.551 0.000 -3.435) 4.279 11.988 ( -0.361 -0.000 -1.087) 1.146 12.203 ( 5.974 0.000 1.031) 6.062 12.219 ( -0.177 -0.000 -0.868) 0.886 12.779 ( 0.359 0.000 -0.745) 0.827 12.782 ( 1.184 0.000 -1.363) 1.805 12.974 ( -1.440 -0.000 0.873) 1.684 13.025 ( -3.128 -0.000 0.187) 3.133 13.089 ( -0.472 -0.000 -0.906) 1.022 13.283 ( 0.796 0.000 0.584) 0.987 13.730 ( -1.819 -0.000 -0.824) 1.997 14.182 ( -3.869 -0.000 1.150) 4.036 14.464 ( 6.474 0.000 1.868) 6.738 ======================= Grid point 29 (19/165) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 5.686 -1.366 0.094) 5.849 1.550 ( -0.167 -5.130 1.290) 5.293 1.647 ( 0.408 -10.939 1.850) 11.102 1.895 ( 1.606 -3.193 -0.214) 3.581 2.200 ( -1.371 -2.830 0.471) 3.180 2.342 ( -1.457 -2.145 0.801) 2.714 2.576 ( 0.181 -4.991 -0.119) 4.995 2.883 ( 2.196 -1.048 2.606) 3.565 2.956 ( -0.670 5.025 2.681) 5.734 3.157 ( -1.622 -2.213 1.991) 3.390 3.545 ( 3.023 -1.567 1.641) 3.780 3.814 ( -2.690 1.314 -0.235) 3.003 4.103 ( 4.417 1.785 4.136) 6.309 4.250 ( -3.342 3.874 -2.325) 5.620 4.522 ( -0.002 -2.966 -2.059) 3.611 4.948 ( -5.607 -0.577 0.644) 5.673 5.509 ( 26.888 -3.428 3.581) 27.342 6.316 ( -10.319 2.002 1.569) 10.628 6.889 ( -1.409 -4.246 -0.130) 4.475 7.582 ( 0.171 -0.247 0.221) 0.373 7.747 ( 0.986 0.891 0.150) 1.337 7.830 ( 1.045 -1.757 -0.070) 2.045 8.023 ( -1.417 1.135 2.270) 2.907 8.121 ( -0.158 0.350 -1.011) 1.081 8.719 ( -0.876 1.447 -0.245) 1.709 9.215 ( 1.542 0.589 0.276) 1.674 9.856 ( -4.832 1.962 -3.723) 6.407 10.512 ( -1.126 0.233 -0.611) 1.302 11.374 ( -1.906 2.112 -1.592) 3.260 11.828 ( 1.239 -0.958 -1.676) 2.293 11.950 ( -0.063 3.310 -0.504) 3.349 12.174 ( 0.608 3.764 -0.339) 3.828 12.275 ( 2.300 -1.534 0.371) 2.790 12.764 ( 0.574 0.958 -0.574) 1.255 12.807 ( 0.527 -1.695 -0.515) 1.848 12.955 ( -1.050 1.027 0.306) 1.500 12.992 ( -2.008 0.831 -0.010) 2.173 13.090 ( 0.139 -0.755 -0.189) 0.791 13.309 ( 0.162 -2.060 0.334) 2.093 13.705 ( -0.996 0.909 -0.466) 1.427 14.149 ( -2.014 1.108 0.573) 2.369 14.513 ( 3.454 0.918 0.923) 3.691 ======================= Grid point 30 (20/165) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -0.000 -0.776 -0.000) 0.776 1.556 ( 0.000 0.140 0.000) 0.140 1.883 ( -0.000 -8.457 -0.000) 8.457 2.008 ( -0.000 -9.088 -0.000) 9.088 2.200 ( 0.000 0.172 0.000) 0.172 2.404 ( -0.000 -4.518 -0.000) 4.518 2.667 ( -0.000 -4.858 -0.000) 4.858 2.886 ( 0.000 3.323 0.000) 3.323 2.921 ( -0.000 -1.091 -0.000) 1.091 3.181 ( -0.000 -2.191 -0.000) 2.191 3.621 ( -0.000 -4.646 -0.000) 4.646 3.756 ( 0.000 3.791 0.000) 3.791 4.101 ( 0.000 6.436 0.000) 6.436 4.124 ( 0.000 4.793 0.000) 4.793 4.546 ( -0.000 -1.161 -0.000) 1.161 4.968 ( -0.000 -4.526 -0.000) 4.526 5.731 ( -0.000 -4.046 -0.000) 4.046 6.214 ( 0.000 2.702 0.000) 2.702 6.976 ( -0.000 -7.052 -0.000) 7.052 7.585 ( 0.000 0.128 0.000) 0.128 7.734 ( 0.000 1.265 0.000) 1.265 7.861 ( -0.000 -0.419 -0.000) 0.419 7.996 ( 0.000 1.398 0.000) 1.398 8.116 ( -0.000 -0.614 -0.000) 0.614 8.682 ( 0.000 2.215 0.000) 2.215 9.209 ( 0.000 1.128 0.000) 1.128 9.796 ( 0.000 0.780 0.000) 0.780 10.505 ( -0.000 -0.196 -0.000) 0.196 11.323 ( 0.000 2.161 0.000) 2.161 11.848 ( -0.000 -0.525 -0.000) 0.525 11.886 ( 0.000 3.412 0.000) 3.412 12.103 ( 0.000 4.724 0.000) 4.724 12.301 ( -0.000 -0.192 -0.000) 0.192 12.751 ( 0.000 0.790 0.000) 0.790 12.844 ( -0.000 -2.468 -0.000) 2.468 12.933 ( 0.000 0.972 0.000) 0.972 12.962 ( 0.000 1.529 0.000) 1.529 13.104 ( -0.000 -0.560 -0.000) 0.560 13.359 ( -0.000 -3.858 -0.000) 3.858 13.674 ( 0.000 2.219 0.000) 2.219 14.118 ( 0.000 1.405 0.000) 1.405 14.510 ( 0.000 1.666 0.000) 1.666 ======================= Grid point 39 (21/165) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.000 0.000 0.000) 0.000 1.465 ( 0.000 0.000 -0.000) 0.000 1.587 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 -0.000) 0.000 2.529 ( 0.000 0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.139 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.917 ( 0.000 0.000 0.000) 0.000 5.645 ( 0.000 0.000 0.000) 0.000 6.267 ( 0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 0.000) 0.000 7.581 ( 0.000 0.000 0.000) 0.000 7.761 ( 0.000 0.000 0.000) 0.000 7.815 ( 0.000 0.000 0.000) 0.000 8.035 ( 0.000 0.000 0.000) 0.000 8.122 ( 0.000 0.000 -0.000) 0.000 8.726 ( 0.000 0.000 0.000) 0.000 9.229 ( 0.000 0.000 0.000) 0.000 9.837 ( 0.000 0.000 0.000) 0.000 10.507 ( 0.000 0.000 0.000) 0.000 11.379 ( 0.000 0.000 0.000) 0.000 11.820 ( 0.000 0.000 0.000) 0.000 11.978 ( 0.000 0.000 0.000) 0.000 12.212 ( 0.000 0.000 0.000) 0.000 12.273 ( 0.000 0.000 0.000) 0.000 12.780 ( 0.000 0.000 -0.000) 0.000 12.787 ( 0.000 0.000 0.000) 0.000 12.962 ( 0.000 0.000 0.000) 0.000 12.988 ( 0.000 0.000 0.000) 0.000 13.081 ( 0.000 0.000 0.000) 0.000 13.295 ( 0.000 0.000 0.000) 0.000 13.706 ( 0.000 0.000 0.000) 0.000 14.151 ( 0.000 0.000 0.000) 0.000 14.540 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 69 (22/165) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 3.509 0.000 25.551) 25.791 0.561 ( 1.701 0.000 27.700) 27.752 0.895 ( 0.773 0.000 41.866) 41.873 1.694 ( 3.449 0.000 4.891) 5.985 1.938 ( -3.649 -0.000 4.956) 6.155 2.148 ( 0.738 0.000 1.121) 1.342 2.511 ( 1.200 0.000 -1.213) 1.706 2.562 ( -0.329 -0.000 0.903) 0.961 2.793 ( 3.947 0.000 -0.576) 3.989 2.864 ( 8.032 0.000 1.090) 8.106 3.100 ( -1.329 -0.000 -2.688) 2.999 3.581 ( 1.508 0.000 -2.147) 2.624 3.812 ( -0.690 -0.000 1.413) 1.573 4.042 ( -2.855 -0.000 -1.398) 3.179 4.718 ( 0.680 0.000 0.634) 0.930 4.883 ( -0.864 -0.000 4.796) 4.874 5.960 ( 2.844 0.000 -0.294) 2.859 6.072 ( 2.174 0.000 4.585) 5.074 7.209 ( -1.249 -0.000 0.991) 1.594 7.415 ( -0.731 -0.000 -0.153) 0.746 7.607 ( 0.198 0.000 -0.207) 0.286 7.613 ( 0.014 0.000 0.840) 0.840 7.950 ( 5.555 0.000 -5.675) 7.941 8.217 ( -2.920 -0.000 3.361) 4.452 8.715 ( 0.365 0.000 1.193) 1.248 9.112 ( -0.900 -0.000 -0.003) 0.900 10.574 ( -1.244 -0.000 -2.407) 2.709 10.696 ( -2.485 -0.000 -3.391) 4.204 11.668 ( -0.372 -0.000 -1.718) 1.757 11.755 ( -0.787 -0.000 -1.761) 1.929 11.935 ( -2.153 -0.000 1.304) 2.517 12.058 ( -1.989 -0.000 -1.393) 2.429 12.260 ( -0.559 -0.000 0.573) 0.800 12.790 ( -1.813 -0.000 0.196) 1.824 12.807 ( -0.912 -0.000 -0.050) 0.913 12.996 ( 0.292 0.000 0.452) 0.538 13.065 ( 0.115 0.000 -0.072) 0.136 13.162 ( 0.768 0.000 -0.733) 1.061 13.217 ( 0.486 0.000 -0.016) 0.486 13.785 ( 0.134 0.000 -0.064) 0.148 14.052 ( 1.652 0.000 0.787) 1.829 14.429 ( 0.200 0.000 0.876) 0.898 ======================= Grid point 70 (23/165) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 5.275 -9.584 20.083) 22.869 0.940 ( 16.046 -12.393 17.366) 26.696 1.408 ( 9.526 -20.555 21.406) 31.168 1.784 ( 7.811 -0.556 7.681) 10.969 1.963 ( 0.107 -3.668 8.469) 9.229 2.258 ( 0.777 -10.151 1.820) 10.342 2.560 ( 0.533 -2.761 -0.279) 2.825 2.580 ( 0.488 -2.823 0.344) 2.886 2.782 ( 4.746 3.174 1.032) 5.802 3.047 ( 5.609 -8.953 2.509) 10.859 3.134 ( 7.762 -2.732 -3.633) 8.995 3.595 ( 4.388 0.369 -2.058) 4.860 3.803 ( 0.782 1.837 2.179) 2.955 3.972 ( -7.598 0.605 -1.393) 7.748 4.698 ( -2.275 1.725 1.881) 3.419 4.950 ( -1.091 -5.348 3.459) 6.462 5.927 ( -8.994 1.055 0.712) 9.084 6.141 ( 5.817 0.096 5.950) 8.322 7.169 ( -9.843 -2.953 0.481) 10.287 7.474 ( 7.413 -1.114 -0.420) 7.508 7.618 ( 1.820 -0.210 0.089) 1.834 7.644 ( 1.309 -2.146 0.679) 2.604 7.967 ( 4.920 0.483 -5.183) 7.162 8.196 ( -2.754 1.155 3.169) 4.355 8.721 ( 1.254 1.429 1.449) 2.391 9.108 ( -0.007 -0.205 -0.407) 0.456 10.463 ( -5.862 6.505 -6.601) 10.966 10.643 ( -1.343 1.695 -1.242) 2.493 11.618 ( -0.751 5.061 -2.828) 5.846 11.725 ( -0.427 -0.384 -1.284) 1.406 11.939 ( -1.165 0.197 -0.328) 1.226 12.024 ( -0.285 0.490 -1.049) 1.192 12.242 ( -0.651 1.097 0.777) 1.493 12.756 ( -0.738 1.389 -0.735) 1.736 12.818 ( -1.279 -1.840 -0.130) 2.244 12.995 ( 0.189 0.819 0.620) 1.044 13.068 ( -0.055 -0.266 -0.203) 0.339 13.118 ( -0.010 3.366 -1.241) 3.587 13.280 ( 0.817 -4.541 0.444) 4.635 13.773 ( 0.520 1.879 -0.087) 1.952 14.089 ( 3.707 -0.429 1.172) 3.912 14.418 ( -2.461 0.545 0.967) 2.700 ======================= Grid point 71 (24/165) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 5.454 -11.050 9.471) 15.542 1.316 ( 10.535 -8.032 9.037) 16.036 1.712 ( -0.864 -4.179 5.710) 7.128 1.953 ( 10.386 -5.982 4.119) 12.674 2.230 ( 5.174 -11.878 11.183) 17.115 2.462 ( 1.428 -9.095 3.247) 9.763 2.548 ( -3.376 0.514 0.512) 3.453 2.677 ( 4.048 -3.850 1.976) 5.925 2.825 ( 3.418 -2.680 0.881) 4.432 3.243 ( 12.447 -4.310 -2.314) 13.374 3.308 ( 3.800 -10.304 0.689) 11.004 3.635 ( 8.182 1.208 -1.930) 8.493 3.817 ( 2.768 -0.371 1.153) 3.022 3.896 ( -3.392 -0.473 2.184) 4.062 4.647 ( -4.653 1.604 2.192) 5.388 5.040 ( -3.782 -5.694 1.663) 7.035 5.755 ( -18.499 4.002 1.419) 18.980 6.226 ( 6.059 0.834 5.497) 8.223 7.162 ( -6.552 -5.736 0.628) 8.731 7.539 ( 4.083 0.135 -0.380) 4.103 7.642 ( 1.249 -0.295 0.332) 1.326 7.714 ( 3.164 -2.320 0.163) 3.927 7.989 ( 4.842 -0.965 -3.267) 5.920 8.166 ( -1.800 1.365 2.192) 3.148 8.706 ( 0.653 2.283 1.241) 2.679 9.115 ( 0.883 -0.539 -0.648) 1.220 10.212 ( -6.883 10.093 -7.354) 14.259 10.600 ( -1.203 1.625 -0.247) 2.037 11.489 ( -1.938 5.928 -2.190) 6.610 11.745 ( 1.668 -1.494 -1.481) 2.685 11.882 ( -1.758 3.109 -1.073) 3.730 12.025 ( 1.246 0.822 -0.262) 1.516 12.239 ( 0.092 -0.916 0.638) 1.120 12.726 ( 0.003 1.077 -1.393) 1.761 12.838 ( -1.019 -1.852 -0.140) 2.119 12.984 ( 0.279 1.175 1.092) 1.628 13.054 ( 0.002 2.935 -0.715) 3.021 13.068 ( -0.369 -0.013 -1.038) 1.102 13.370 ( 0.441 -4.800 1.175) 4.961 13.732 ( 0.165 3.309 -0.136) 3.316 14.144 ( 5.711 0.117 1.039) 5.806 14.375 ( -4.786 0.820 0.493) 4.881 ======================= Grid point 72 (25/165) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 2.355 -3.901 3.470) 5.727 1.534 ( 5.225 -5.251 2.434) 7.798 1.770 ( -0.828 -4.096 3.526) 5.468 2.171 ( 9.482 -2.530 4.682) 10.873 2.342 ( 1.489 4.051 1.132) 4.462 2.456 ( -7.107 1.167 -0.467) 7.217 2.659 ( 0.458 -7.774 2.743) 8.256 2.787 ( 3.077 -2.318 2.015) 4.348 2.906 ( 0.736 -2.807 0.427) 2.933 3.366 ( 6.335 -0.194 -2.027) 6.654 3.509 ( 0.384 -9.288 1.684) 9.447 3.674 ( 7.776 3.157 -2.918) 8.886 3.800 ( -1.639 0.170 2.203) 2.751 4.099 ( 20.058 -8.382 2.460) 21.878 4.585 ( -5.103 1.035 1.541) 5.430 5.037 ( -12.580 -0.779 0.726) 12.625 5.500 ( -15.161 4.872 1.051) 15.960 6.277 ( 3.270 1.695 4.046) 5.471 7.224 ( -2.513 -5.514 0.900) 6.126 7.556 ( 2.269 0.808 -0.654) 2.496 7.645 ( 0.242 1.214 0.369) 1.292 7.751 ( 0.813 -0.609 -0.859) 1.330 8.043 ( 2.022 0.234 -0.502) 2.097 8.170 ( 1.541 -2.729 0.336) 3.152 8.674 ( -0.228 2.201 0.476) 2.263 9.134 ( 1.254 -0.657 -0.689) 1.575 9.976 ( -4.255 6.168 -4.289) 8.634 10.567 ( -0.840 0.969 0.051) 1.284 11.386 ( -1.478 2.986 -0.964) 3.468 11.781 ( 1.767 -1.423 -0.781) 2.399 11.821 ( -1.057 1.571 -0.156) 1.900 12.010 ( 0.337 1.478 -0.093) 1.519 12.270 ( 0.488 -1.578 0.182) 1.662 12.708 ( 0.779 0.426 -1.736) 1.949 12.855 ( -1.030 -1.327 0.412) 1.730 12.970 ( 0.070 1.140 0.452) 1.228 13.020 ( 0.107 1.009 0.259) 1.047 13.060 ( 0.117 0.147 -0.729) 0.752 13.452 ( -0.007 -3.747 0.984) 3.874 13.672 ( -0.378 3.297 0.152) 3.323 14.203 ( 7.032 0.848 0.521) 7.102 14.307 ( -6.277 0.766 -0.512) 6.344 ======================= Grid point 73 (26/165) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -0.337 1.901 1.471) 2.427 1.597 ( 0.596 0.627 -0.502) 0.999 1.875 ( -0.036 -1.919 2.642) 3.266 2.115 ( -3.339 6.815 -1.609) 7.757 2.335 ( -7.815 2.896 -1.370) 8.446 2.402 ( 8.448 -1.057 2.753) 8.948 2.732 ( -0.816 0.861 0.238) 1.210 2.797 ( 0.917 4.340 0.186) 4.440 2.922 ( -0.703 0.417 -0.909) 1.223 3.376 ( 0.982 1.036 -2.456) 2.841 3.571 ( -0.643 5.244 -1.418) 5.470 3.673 ( 3.534 -2.889 -0.269) 4.572 3.824 ( -0.307 0.656 3.677) 3.748 4.371 ( 2.102 -0.224 1.119) 2.392 4.530 ( -4.151 0.900 -0.246) 4.255 4.898 ( -0.461 0.276 1.016) 1.149 5.383 ( -0.681 0.890 -0.099) 1.125 6.272 ( -0.651 2.632 2.378) 3.606 7.263 ( 0.081 0.769 0.579) 0.966 7.562 ( 0.659 -0.481 -0.636) 1.035 7.622 ( -0.044 0.945 -0.174) 0.962 7.769 ( -0.189 -1.585 0.240) 1.614 8.007 ( 0.298 2.926 -2.544) 3.888 8.229 ( -0.591 -0.784 0.663) 1.184 8.649 ( -0.347 0.008 -0.062) 0.352 9.144 ( 0.566 0.154 -0.894) 1.069 9.934 ( 0.960 -4.943 0.382) 5.050 10.556 ( -0.170 -0.248 0.236) 0.382 11.362 ( -0.764 -1.729 0.269) 1.909 11.804 ( -0.092 -0.796 0.830) 1.153 11.825 ( 0.195 -1.620 0.626) 1.747 11.996 ( -0.261 -0.201 -0.089) 0.341 12.285 ( -0.508 -0.026 -0.262) 0.572 12.708 ( 1.150 -0.365 -1.672) 2.062 12.867 ( -0.332 -0.551 0.939) 1.138 12.967 ( -0.006 -0.558 0.425) 0.701 13.009 ( -1.578 -0.134 0.440) 1.643 13.066 ( 1.641 -0.073 0.115) 1.647 13.478 ( -0.108 1.629 -0.204) 1.645 13.645 ( -1.028 -1.302 1.038) 1.957 14.225 ( -6.127 0.708 -1.412) 6.328 14.259 ( 7.092 1.095 -0.203) 7.179 ======================= Grid point 74 (27/165) ======================= q-point: (-0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -3.479 7.630 0.569) 8.405 1.520 ( -5.954 8.044 -1.309) 10.094 1.723 ( -4.079 11.332 2.747) 12.353 2.048 ( -9.481 -0.567 -1.417) 9.603 2.225 ( -2.638 2.656 -3.239) 4.951 2.491 ( 6.746 1.305 1.777) 7.097 2.577 ( -0.749 14.257 -0.428) 14.283 2.713 ( -1.656 5.127 0.150) 5.390 2.872 ( -1.389 3.468 -1.935) 4.207 3.299 ( 3.113 9.730 -5.966) 11.830 3.456 ( -4.189 2.943 0.236) 5.125 3.702 ( -4.858 0.953 0.369) 4.964 3.836 ( 3.849 -0.385 3.128) 4.975 4.102 ( -23.482 8.192 1.865) 24.940 4.552 ( 5.036 -0.607 0.047) 5.073 5.023 ( 9.482 0.106 -0.190) 9.484 5.455 ( 15.331 -2.315 -0.839) 15.527 6.208 ( -3.961 3.043 1.096) 5.114 7.218 ( 2.701 5.552 0.602) 6.204 7.569 ( -1.191 -0.568 -0.018) 1.320 7.619 ( 0.076 -0.443 -0.860) 0.970 7.783 ( -2.153 0.046 0.706) 2.266 7.949 ( 1.243 2.273 -4.303) 5.023 8.199 ( -2.828 0.998 1.332) 3.282 8.663 ( -0.609 -1.733 0.038) 1.838 9.136 ( -0.106 0.255 -0.629) 0.687 10.127 ( 3.924 -12.594 2.117) 13.360 10.575 ( 0.385 -1.676 0.376) 1.760 11.426 ( -0.170 -5.835 0.817) 5.894 11.812 ( -3.284 -0.899 0.686) 3.473 11.872 ( 1.494 -2.669 1.810) 3.554 12.016 ( -0.520 -2.364 0.205) 2.429 12.261 ( -1.512 1.226 -0.098) 1.949 12.722 ( 0.965 -0.940 -1.266) 1.849 12.880 ( 0.177 -0.285 1.050) 1.102 12.973 ( -1.487 -0.184 0.600) 1.614 13.017 ( -0.309 -2.120 0.249) 2.157 13.088 ( 1.308 -0.371 0.722) 1.540 13.413 ( -0.178 4.747 -0.502) 4.777 13.689 ( -1.470 -3.938 0.795) 4.278 14.148 ( -5.039 0.729 -2.012) 5.474 14.310 ( 6.808 0.762 -0.301) 6.857 ======================= Grid point 75 (28/165) ======================= q-point: (-0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -8.804 16.327 1.138) 18.585 1.167 ( -17.500 17.112 2.200) 24.575 1.582 ( -2.043 9.495 2.683) 10.076 1.840 ( -16.474 12.476 1.481) 20.718 2.038 ( -2.273 10.628 4.254) 11.671 2.401 ( -0.040 8.198 0.078) 8.198 2.523 ( 5.721 0.801 -1.537) 5.978 2.617 ( 0.160 4.439 0.213) 4.447 2.772 ( -1.559 4.729 -2.292) 5.481 3.085 ( 5.189 14.641 -5.539) 16.491 3.345 ( -12.271 2.443 0.303) 12.516 3.629 ( -4.021 0.764 -1.169) 4.257 3.828 ( -8.269 0.962 1.481) 8.456 3.954 ( 4.839 -0.648 2.788) 5.622 4.617 ( 4.190 -1.299 0.817) 4.462 5.011 ( 0.941 5.245 0.291) 5.337 5.690 ( 21.081 -2.544 -1.384) 21.279 6.121 ( -5.041 2.369 1.025) 5.663 7.171 ( 6.074 5.007 0.899) 7.923 7.556 ( -3.153 -0.038 0.137) 3.156 7.617 ( -0.652 -0.145 -0.841) 1.074 7.717 ( -4.737 3.251 0.620) 5.779 7.920 ( 3.501 0.770 -5.404) 6.485 8.195 ( -2.276 -1.931 2.449) 3.861 8.685 ( -1.110 -1.791 0.228) 2.119 9.129 ( -0.644 -0.050 -0.164) 0.667 10.384 ( 3.531 -11.334 0.540) 11.884 10.622 ( 0.301 -3.370 0.348) 3.401 11.544 ( 0.092 -7.367 0.214) 7.371 11.782 ( -3.792 0.380 0.581) 3.855 11.947 ( 0.678 -3.219 1.326) 3.547 12.048 ( -1.852 -2.049 0.561) 2.818 12.231 ( -1.256 0.403 0.543) 1.427 12.744 ( 0.522 -1.508 -0.643) 1.720 12.879 ( -0.930 0.954 1.214) 1.802 12.970 ( -0.814 -0.940 0.367) 1.296 13.057 ( 0.728 -1.642 0.175) 1.804 13.106 ( 0.009 -0.876 0.032) 0.877 13.331 ( 0.044 4.539 -0.329) 4.551 13.740 ( -1.548 -3.434 0.178) 3.771 14.087 ( -2.574 0.916 -1.525) 3.129 14.361 ( 5.259 0.022 -0.065) 5.259 ======================= Grid point 76 (29/165) ======================= q-point: (-0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -9.928 18.110 11.974) 23.874 0.715 ( -20.545 17.182 12.354) 29.495 1.148 ( -15.566 31.145 22.281) 41.338 1.666 ( -0.400 1.374 2.252) 2.668 1.954 ( -3.869 1.407 5.216) 6.645 2.234 ( 0.431 10.279 0.646) 10.308 2.543 ( 1.940 2.459 -1.678) 3.553 2.572 ( 0.564 1.823 0.830) 2.081 2.713 ( 2.442 -1.036 -2.320) 3.524 2.911 ( 6.591 10.046 -2.429) 12.258 3.184 ( -9.341 2.334 -1.228) 9.706 3.591 ( -0.953 0.097 -2.073) 2.284 3.802 ( -2.583 -1.761 1.283) 3.379 4.030 ( 3.765 -0.948 0.640) 3.935 4.680 ( 2.410 -1.700 1.023) 3.122 4.923 ( -0.552 5.378 2.395) 5.913 5.882 ( 13.722 -0.635 -1.409) 13.808 6.061 ( -2.649 1.028 2.564) 3.827 7.183 ( 7.862 2.750 0.892) 8.376 7.490 ( -7.995 1.198 -0.296) 8.090 7.609 ( -0.838 -0.387 -0.499) 1.049 7.641 ( -1.241 2.258 0.275) 2.591 7.927 ( 4.989 -0.038 -5.762) 7.621 8.217 ( -2.926 -1.424 3.103) 4.496 8.704 ( -1.061 -1.482 0.367) 1.859 9.122 ( -1.121 -0.096 0.051) 1.126 10.541 ( 1.666 -4.684 -1.102) 5.092 10.688 ( -0.978 -4.334 -1.251) 4.615 11.650 ( -0.682 -5.017 -1.265) 5.219 11.750 ( -1.576 -0.286 0.117) 1.606 11.971 ( -2.128 0.716 0.921) 2.426 12.060 ( -1.920 -1.888 0.098) 2.694 12.239 ( -0.367 -1.453 1.160) 1.895 12.773 ( -0.405 -1.934 -0.002) 1.976 12.845 ( -1.650 1.996 0.888) 2.738 12.987 ( 0.344 -0.834 -0.005) 0.902 13.070 ( 0.079 0.433 0.101) 0.452 13.130 ( 0.014 -2.296 -1.007) 2.507 13.263 ( 0.633 3.899 -0.308) 3.962 13.773 ( -0.903 -1.918 -0.092) 2.122 14.053 ( -0.210 0.862 -0.500) 1.018 14.406 ( 2.929 -0.349 0.430) 2.981 ======================= Grid point 78 (30/165) ======================= q-point: ( 0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 8.246 0.000 19.788) 21.437 0.985 ( 11.111 0.000 20.357) 23.192 1.483 ( 11.398 0.000 14.177) 18.191 1.853 ( -1.438 -0.000 4.331) 4.564 2.109 ( 19.743 0.000 18.526) 27.073 2.170 ( -0.131 -0.000 1.627) 1.632 2.517 ( 0.844 0.000 -1.261) 1.518 2.564 ( -2.243 -0.000 1.108) 2.502 2.911 ( 9.090 0.000 2.632) 9.463 3.029 ( 5.080 0.000 2.897) 5.848 3.211 ( 17.536 0.000 -4.610) 18.132 3.647 ( 7.456 0.000 -1.586) 7.623 3.844 ( 1.744 0.000 2.967) 3.441 3.879 ( -10.165 -0.000 -0.048) 10.165 4.691 ( -4.728 -0.000 0.899) 4.813 4.901 ( -2.580 -0.000 3.699) 4.510 5.813 ( -17.628 -0.000 1.550) 17.696 6.251 ( 8.313 0.000 7.131) 10.952 7.048 ( -8.945 -0.000 0.079) 8.946 7.530 ( 4.917 0.000 0.577) 4.951 7.638 ( 2.436 0.000 -0.153) 2.440 7.654 ( 4.157 0.000 0.431) 4.179 7.991 ( 4.590 0.000 -5.109) 6.868 8.196 ( -2.984 -0.000 3.390) 4.516 8.755 ( 1.035 0.000 1.521) 1.840 9.108 ( 0.933 0.000 -0.508) 1.062 10.402 ( -9.005 -0.000 -8.746) 12.553 10.634 ( -1.925 -0.000 -1.116) 2.225 11.662 ( -5.565 -0.000 -3.291) 6.465 11.670 ( 3.041 0.000 -3.371) 4.540 11.962 ( 3.530 0.000 1.585) 3.869 12.010 ( -0.852 -0.000 -1.656) 1.862 12.245 ( -1.182 -0.000 0.160) 1.193 12.761 ( -0.647 -0.000 -0.660) 0.924 12.786 ( -0.840 -0.000 -0.414) 0.937 13.006 ( -0.044 -0.000 0.762) 0.764 13.067 ( 0.206 0.000 -0.271) 0.341 13.152 ( -0.910 -0.000 -0.792) 1.206 13.238 ( 1.294 0.000 0.401) 1.355 13.789 ( -0.189 -0.000 -0.377) 0.422 14.144 ( 6.452 0.000 1.890) 6.723 14.395 ( -4.611 -0.000 1.330) 4.799 ======================= Grid point 79 (31/165) ======================= q-point: ( 0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 7.515 -3.125 13.485) 15.751 1.330 ( 8.816 -10.021 11.504) 17.621 1.659 ( 2.117 -5.389 6.794) 8.927 1.879 ( -1.548 -5.454 4.454) 7.209 2.242 ( 1.892 -6.092 3.639) 7.344 2.399 ( 9.491 -2.267 9.146) 13.374 2.527 ( -2.115 -0.192 0.865) 2.293 2.620 ( 3.761 -7.214 4.193) 9.152 2.927 ( 5.875 6.194 1.934) 8.753 3.185 ( 4.354 -8.287 1.708) 9.516 3.395 ( 21.372 1.099 -3.075) 21.620 3.719 ( 8.610 0.104 -1.718) 8.781 3.808 ( -1.487 0.017 1.655) 2.225 3.909 ( 6.347 -2.630 4.270) 8.089 4.622 ( -7.580 1.069 0.975) 7.717 4.927 ( -3.686 -3.660 2.312) 5.686 5.611 ( -22.185 1.603 1.832) 22.318 6.351 ( 7.007 1.956 6.503) 9.757 7.013 ( -5.684 -4.473 0.287) 7.238 7.567 ( 1.594 -0.282 0.680) 1.756 7.658 ( 2.483 0.224 -0.413) 2.527 7.721 ( 4.767 -1.721 0.178) 5.071 8.003 ( 3.905 0.023 -4.339) 5.837 8.178 ( -2.618 0.896 3.184) 4.219 8.753 ( 0.070 1.739 1.337) 2.195 9.120 ( 1.913 -0.116 -0.439) 1.966 10.214 ( -9.834 5.073 -8.879) 14.187 10.601 ( -2.318 0.783 -0.536) 2.505 11.537 ( -4.333 4.643 -3.161) 7.094 11.714 ( 2.496 -2.403 -3.173) 4.698 11.941 ( 0.974 4.195 -0.207) 4.312 12.046 ( 3.259 -0.993 0.542) 3.449 12.231 ( -0.736 0.020 0.121) 0.746 12.738 ( 0.029 1.214 -1.031) 1.593 12.798 ( -0.551 -1.799 -0.262) 1.900 13.003 ( -0.405 0.518 0.888) 1.105 13.064 ( -0.054 0.304 -0.642) 0.713 13.101 ( -0.694 3.027 -0.565) 3.156 13.299 ( 0.389 -4.344 0.775) 4.430 13.767 ( -1.008 1.569 -0.540) 1.941 14.224 ( 8.119 0.364 1.562) 8.275 14.343 ( -5.979 0.901 1.176) 6.160 ======================= Grid point 80 (32/165) ======================= q-point: ( 0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 5.617 -4.142 5.390) 8.818 1.540 ( 5.472 -3.045 5.107) 8.081 1.731 ( -1.094 -2.018 2.683) 3.531 2.108 ( 0.769 -14.253 4.887) 15.087 2.375 ( -1.951 -4.320 1.481) 4.967 2.410 ( -2.568 1.718 1.100) 3.280 2.601 ( 3.448 -3.948 2.125) 5.656 2.788 ( 3.656 -2.819 3.645) 5.881 2.897 ( 2.031 1.313 2.083) 3.192 3.344 ( -0.221 -7.010 -0.806) 7.060 3.469 ( 4.477 1.836 1.307) 5.013 3.768 ( 4.764 1.439 0.062) 4.977 3.842 ( 6.723 1.815 1.877) 7.212 4.190 ( 23.773 -8.287 1.028) 25.197 4.537 ( -7.987 0.057 0.655) 8.014 4.937 ( -5.205 -0.413 2.027) 5.601 5.396 ( -16.264 0.584 1.519) 16.345 6.381 ( 2.744 3.667 4.716) 6.574 7.079 ( -3.460 -7.691 0.795) 8.470 7.580 ( 0.707 0.282 0.185) 0.784 7.673 ( 2.078 0.476 -0.355) 2.162 7.771 ( 2.795 0.701 -0.500) 2.925 8.035 ( 2.095 -2.166 -2.313) 3.799 8.155 ( -1.466 0.440 1.630) 2.236 8.716 ( -0.742 2.776 0.579) 2.931 9.141 ( 2.256 -0.109 -0.320) 2.281 9.989 ( -7.616 5.533 -5.985) 11.155 10.564 ( -2.193 0.575 -0.127) 2.271 11.411 ( -3.449 3.778 -1.960) 5.478 11.763 ( 2.932 -2.049 -1.869) 4.036 11.875 ( 0.557 4.230 0.085) 4.268 12.058 ( 2.019 2.817 0.173) 3.470 12.249 ( 0.806 -1.709 0.298) 1.913 12.717 ( 0.747 0.847 -1.476) 1.858 12.824 ( -0.209 -1.824 0.284) 1.858 12.986 ( -1.294 1.114 0.360) 1.745 13.034 ( -1.157 1.630 -0.273) 2.018 13.074 ( 1.062 0.551 -0.028) 1.196 13.380 ( -0.569 -4.760 0.895) 4.877 13.716 ( -1.321 2.732 -0.363) 3.056 14.263 ( -5.782 1.455 0.297) 5.970 14.301 ( 7.797 1.178 0.846) 7.931 ======================= Grid point 81 (33/165) ======================= q-point: ( 0.50 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 3.436 0.739 1.688) 3.900 1.606 ( 0.017 0.188 0.752) 0.776 1.822 ( 3.885 -6.052 1.343) 7.316 2.189 ( -7.537 4.685 0.587) 8.894 2.319 ( -4.842 3.271 -1.219) 5.969 2.456 ( 4.601 -3.174 2.622) 6.174 2.694 ( 1.031 -3.198 1.204) 3.569 2.850 ( 1.699 -1.659 -0.699) 2.475 2.918 ( -0.269 0.935 2.223) 2.426 3.367 ( -3.740 -0.794 -0.575) 3.867 3.536 ( 1.527 -3.535 0.595) 3.896 3.765 ( 5.313 3.793 0.678) 6.563 3.871 ( 2.282 2.296 1.583) 3.604 4.338 ( -13.179 2.883 0.903) 13.521 4.540 ( 4.497 -1.091 -0.714) 4.682 4.946 ( 10.566 -1.647 0.813) 10.724 5.357 ( 1.924 -3.595 1.754) 4.438 6.338 ( -1.980 4.280 3.004) 5.591 7.183 ( -3.152 -7.429 0.882) 8.118 7.574 ( 0.425 0.952 -0.467) 1.143 7.670 ( 1.878 2.355 0.045) 3.013 7.768 ( 2.197 0.938 -0.614) 2.467 8.032 ( -1.483 1.760 -1.643) 2.828 8.183 ( -1.071 -3.325 0.333) 3.509 8.663 ( -0.881 2.254 -0.056) 2.421 9.156 ( 1.620 0.549 -0.657) 1.833 9.869 ( -3.048 -0.967 -1.696) 3.619 10.543 ( -1.530 -0.331 0.146) 1.572 11.337 ( -2.175 0.774 -0.557) 2.375 11.812 ( 0.805 0.305 -0.236) 0.893 11.828 ( 2.107 0.602 0.709) 2.303 12.018 ( 0.587 2.814 -0.192) 2.881 12.279 ( 0.567 -0.444 -0.117) 0.729 12.710 ( 1.223 0.225 -1.724) 2.126 12.857 ( 0.641 -1.407 0.744) 1.716 12.957 ( -1.592 0.214 0.030) 1.607 12.999 ( -2.042 0.948 0.613) 2.333 13.085 ( 1.611 -0.005 0.324) 1.643 13.450 ( -0.931 -3.820 0.374) 3.950 13.654 ( -1.433 2.808 0.257) 3.163 14.180 ( -5.427 1.402 -0.621) 5.639 14.355 ( 7.426 1.676 -0.057) 7.613 ======================= Grid point 82 (34/165) ======================= q-point: (-0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 2.346 6.089 0.827) 6.578 1.561 ( -3.623 3.566 -1.425) 5.279 1.923 ( 1.871 5.264 1.742) 5.852 1.961 ( -8.299 7.495 -1.523) 11.286 2.206 ( -2.683 0.557 -1.644) 3.195 2.560 ( 3.821 -1.551 1.762) 4.485 2.715 ( -0.994 1.409 -0.385) 1.766 2.808 ( 0.182 8.365 -0.209) 8.370 2.896 ( -0.892 1.394 0.429) 1.710 3.353 ( -0.565 -0.487 -0.864) 1.141 3.536 ( -1.001 3.954 -0.614) 4.125 3.739 ( 1.876 7.947 -0.419) 8.176 3.860 ( 0.387 -2.236 2.230) 3.182 4.044 ( -18.834 9.332 1.517) 21.074 4.583 ( 2.840 -1.057 1.244) 3.276 5.079 ( 4.611 -1.775 -1.211) 5.087 5.561 ( 20.148 -4.731 1.443) 20.747 6.241 ( -5.563 4.267 1.896) 7.263 7.256 ( -1.675 -3.373 0.918) 3.876 7.556 ( -0.298 0.886 -0.562) 1.090 7.641 ( 1.751 2.657 -0.267) 3.193 7.780 ( 0.848 0.300 0.388) 0.979 7.969 ( -0.870 2.140 -2.767) 3.604 8.188 ( -3.359 0.326 0.620) 3.432 8.641 ( -0.346 -0.298 0.086) 0.464 9.147 ( 0.692 1.147 -0.903) 1.616 9.952 ( 0.238 -10.360 0.150) 10.364 10.548 ( -0.688 -1.465 0.254) 1.638 11.343 ( -0.982 -3.345 0.261) 3.496 11.786 ( -1.474 0.701 0.347) 1.669 11.876 ( 2.459 -0.909 1.118) 2.850 11.992 ( -0.058 0.169 -0.296) 0.346 12.271 ( -0.396 1.219 -0.187) 1.296 12.714 ( 1.199 -0.356 -1.717) 2.124 12.883 ( 0.948 -0.290 0.322) 1.042 12.955 ( -1.444 -0.578 0.450) 1.619 12.977 ( -1.921 -1.307 0.970) 2.518 13.101 ( 0.961 -0.032 0.550) 1.107 13.470 ( -0.282 1.446 -0.222) 1.490 13.622 ( -1.845 -1.436 0.780) 2.465 14.114 ( -3.202 0.861 -1.126) 3.502 14.389 ( 5.524 1.572 -0.483) 5.764 ======================= Grid point 83 (35/165) ======================= q-point: (-0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 0.736 14.310 1.656) 14.424 1.339 ( -8.670 15.482 -0.838) 17.764 1.728 ( 0.818 8.773 2.082) 9.054 1.851 ( -6.910 3.939 2.549) 8.353 2.222 ( 2.057 2.223 0.992) 3.187 2.566 ( 0.503 12.099 0.674) 12.128 2.602 ( 1.070 3.251 1.112) 3.598 2.677 ( -1.115 4.711 0.467) 4.864 2.842 ( 0.599 4.622 -0.509) 4.688 3.317 ( -1.945 4.826 -0.536) 5.231 3.394 ( 3.963 13.157 -2.814) 14.026 3.603 ( -4.669 2.740 0.383) 5.427 3.785 ( -8.310 3.663 2.019) 9.303 3.955 ( 1.430 -3.625 0.769) 3.972 4.637 ( 1.789 -1.214 2.031) 2.966 5.091 ( 1.170 2.613 0.436) 2.896 5.820 ( 16.030 -2.984 0.267) 16.307 6.130 ( -5.625 2.936 2.018) 6.659 7.283 ( 2.277 0.671 1.050) 2.596 7.526 ( -2.542 1.222 -0.664) 2.898 7.619 ( 0.690 1.353 -0.284) 1.546 7.745 ( -1.913 3.386 0.850) 3.981 7.936 ( 2.072 0.639 -3.363) 4.002 8.161 ( -2.008 -0.708 1.184) 2.436 8.654 ( -0.468 -1.252 0.600) 1.465 9.130 ( 0.143 0.746 -0.715) 1.044 10.170 ( -0.102 -14.535 -1.387) 14.601 10.578 ( -0.168 -2.352 0.144) 2.362 11.423 ( -0.326 -6.515 -0.049) 6.523 11.760 ( -2.110 0.598 0.363) 2.223 11.916 ( 0.769 -1.981 0.069) 2.127 12.003 ( -0.626 -1.480 -0.090) 1.609 12.241 ( -0.449 1.516 0.464) 1.647 12.725 ( 0.782 -0.898 -1.498) 1.914 12.887 ( -0.402 0.534 0.304) 0.734 12.948 ( -1.088 -0.704 0.822) 1.535 13.016 ( -0.278 -3.144 0.118) 3.159 13.105 ( -0.207 0.317 0.081) 0.387 13.411 ( 0.276 4.644 0.355) 4.666 13.663 ( -1.118 -4.038 0.333) 4.203 14.079 ( -0.682 0.542 -0.804) 1.185 14.408 ( 2.982 0.776 -0.321) 3.098 ======================= Grid point 84 (36/165) ======================= q-point: (-0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -0.658 19.484 7.919) 21.042 1.001 ( 2.536 18.429 9.372) 20.830 1.629 ( 1.210 12.994 8.106) 15.363 1.743 ( 1.055 5.792 5.374) 7.971 2.075 ( -0.466 14.843 8.543) 17.133 2.409 ( 0.663 8.369 1.308) 8.496 2.579 ( 1.265 1.747 -0.390) 2.191 2.617 ( 0.338 1.915 0.137) 1.949 2.768 ( 2.349 4.973 -0.487) 5.521 3.182 ( -1.917 6.984 -1.979) 7.507 3.192 ( 6.621 13.449 -0.218) 14.992 3.573 ( 0.264 -0.800 -1.886) 2.065 3.753 ( -1.253 -2.039 2.594) 3.529 4.004 ( -2.307 -2.371 -1.078) 3.479 4.675 ( -0.586 -1.304 2.429) 2.819 5.034 ( 0.738 5.789 2.210) 6.240 5.944 ( 1.747 -1.429 -0.052) 2.258 6.086 ( 0.859 0.986 3.829) 4.046 7.280 ( -1.180 2.599 1.088) 3.055 7.462 ( -0.278 2.306 -1.049) 2.549 7.610 ( 0.956 0.572 0.226) 1.136 7.680 ( -0.331 3.027 0.694) 3.123 7.942 ( 4.236 -0.127 -4.537) 6.208 8.178 ( -2.054 -1.924 2.351) 3.667 8.680 ( 0.150 -1.607 1.114) 1.961 9.117 ( -0.223 0.416 -0.487) 0.678 10.374 ( -2.554 -12.312 -4.172) 13.248 10.618 ( -0.452 -2.622 -0.363) 2.686 11.533 ( -0.557 -7.118 -1.384) 7.272 11.735 ( -0.885 0.525 0.096) 1.033 11.948 ( -1.880 -2.162 -1.206) 3.109 12.016 ( -0.433 -0.919 -0.213) 1.038 12.228 ( -0.095 0.103 1.095) 1.104 12.741 ( 0.016 -1.331 -1.082) 1.716 12.861 ( -1.425 1.516 0.279) 2.099 12.969 ( 0.112 -1.489 0.651) 1.629 13.063 ( -0.180 -2.420 -0.286) 2.443 13.092 ( -0.591 -0.036 -1.145) 1.289 13.343 ( 0.921 4.540 0.792) 4.699 13.724 ( 0.055 -3.461 0.118) 3.463 14.071 ( 1.396 0.582 0.035) 1.512 14.419 ( 0.181 -0.204 0.287) 0.396 ======================= Grid point 87 (37/165) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 5.148 0.000 10.271) 11.489 1.347 ( 6.739 0.000 12.904) 14.558 1.669 ( 0.546 0.000 4.223) 4.258 1.851 ( -1.409 -0.000 5.619) 5.793 2.174 ( -0.744 -0.000 0.741) 1.050 2.449 ( -4.135 -0.000 0.803) 4.212 2.518 ( 0.678 0.000 -1.265) 1.435 2.688 ( 11.254 0.000 12.321) 16.687 3.092 ( 3.663 0.000 1.730) 4.051 3.102 ( 2.003 0.000 -1.258) 2.365 3.545 ( 2.525 0.000 2.138) 3.308 3.783 ( 6.545 0.000 -2.625) 7.052 3.943 ( 28.899 0.000 -0.225) 28.899 3.957 ( 5.812 0.000 5.112) 7.740 4.537 ( -11.343 -0.000 -0.388) 11.350 4.902 ( 1.862 0.000 3.882) 4.306 5.413 ( -22.319 -0.000 1.854) 22.396 6.463 ( 4.166 0.000 5.615) 6.992 6.926 ( -4.229 -0.000 0.221) 4.235 7.577 ( 0.339 0.000 0.988) 1.044 7.684 ( 2.842 0.000 -1.174) 3.075 7.750 ( 4.059 0.000 0.063) 4.059 8.014 ( 2.874 0.000 -4.330) 5.197 8.178 ( -2.641 -0.000 3.398) 4.304 8.771 ( -0.967 -0.000 1.227) 1.562 9.142 ( 2.836 0.000 -0.169) 2.841 10.107 ( -10.521 -0.000 -8.101) 13.278 10.578 ( -2.832 -0.000 -0.537) 2.882 11.507 ( -5.946 -0.000 -2.868) 6.602 11.711 ( 4.728 0.000 -3.053) 5.628 11.987 ( -0.316 -0.000 -0.766) 0.829 12.089 ( 6.652 0.000 2.245) 7.021 12.223 ( -0.900 -0.000 -0.173) 0.917 12.753 ( 0.539 0.000 -0.628) 0.828 12.770 ( -0.257 -0.000 -0.426) 0.497 13.005 ( -0.894 -0.000 0.710) 1.141 13.063 ( -0.269 -0.000 -0.623) 0.679 13.112 ( -2.468 -0.000 -0.185) 2.475 13.270 ( 1.217 0.000 0.721) 1.415 13.762 ( -1.834 -0.000 -0.648) 1.945 14.298 ( -6.327 -0.000 1.270) 6.453 14.320 ( 8.958 0.000 1.209) 9.039 ======================= Grid point 88 (38/165) ======================= q-point: ( 0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 5.472 -1.567 5.266) 7.754 1.548 ( 3.405 -6.695 6.639) 10.025 1.690 ( -2.456 -2.519 1.770) 3.939 1.924 ( -0.471 -7.099 6.768) 9.820 2.244 ( -2.248 -7.202 0.555) 7.565 2.400 ( -3.835 0.109 0.166) 3.840 2.557 ( 1.361 -4.151 -0.973) 4.476 2.836 ( 5.310 -0.644 6.021) 8.054 2.993 ( 0.652 6.451 -0.237) 6.488 3.217 ( -1.587 -6.401 -1.075) 6.682 3.541 ( -0.132 1.965 4.986) 5.361 3.814 ( 2.520 0.056 -1.656) 3.016 3.999 ( 9.419 4.557 2.439) 10.744 4.273 ( 15.889 -4.593 -2.363) 16.707 4.441 ( -6.275 -2.757 -1.455) 7.007 4.989 ( 10.535 1.928 4.874) 11.767 5.242 ( -13.064 -2.408 1.961) 13.428 6.471 ( -1.891 3.080 3.381) 4.949 6.938 ( -3.184 -5.158 0.549) 6.087 7.585 ( 0.010 -0.197 0.694) 0.721 7.698 ( 2.670 0.476 -1.860) 3.289 7.795 ( 2.644 -1.067 0.292) 2.866 8.013 ( 1.386 -0.198 -3.934) 4.176 8.162 ( -2.261 0.924 2.530) 3.516 8.748 ( -1.540 1.789 0.771) 2.483 9.168 ( 2.941 0.269 -0.015) 2.953 9.950 ( -8.179 2.815 -4.871) 9.927 10.546 ( -2.544 0.281 -0.162) 2.565 11.420 ( -4.017 2.597 -1.523) 5.020 11.758 ( 4.214 -1.520 -1.531) 4.734 11.949 ( 0.142 3.537 0.075) 3.541 12.138 ( 3.582 2.958 0.866) 4.726 12.234 ( 1.446 -1.783 0.681) 2.394 12.736 ( 0.833 1.312 -0.994) 1.845 12.795 ( 0.368 -1.992 0.195) 2.035 12.989 ( -1.677 0.943 0.277) 1.944 13.043 ( -1.926 1.085 -0.144) 2.215 13.087 ( -0.231 0.237 0.091) 0.343 13.312 ( 0.073 -3.076 0.709) 3.158 13.730 ( -1.806 1.140 -0.434) 2.179 14.233 ( -5.722 1.273 0.727) 5.907 14.401 ( 7.980 0.821 0.308) 8.028 ======================= Grid point 89 (39/165) ======================= q-point: ( 0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 4.512 -1.332 1.152) 4.844 1.608 ( -2.117 0.405 1.021) 2.385 1.782 ( 4.272 -5.469 1.480) 7.096 2.100 ( -4.344 -8.353 2.107) 9.648 2.269 ( -5.167 -2.018 0.178) 5.550 2.429 ( -0.843 -3.656 1.730) 4.131 2.650 ( 1.441 -5.024 -0.717) 5.276 2.849 ( 1.311 2.021 -1.505) 2.841 2.945 ( -0.129 0.779 1.952) 2.106 3.264 ( -5.809 -4.166 0.212) 7.151 3.557 ( 4.098 0.352 1.329) 4.322 3.811 ( -2.240 0.203 0.613) 2.331 3.999 ( 7.496 6.220 -0.580) 9.758 4.256 ( -10.844 1.432 -0.018) 10.938 4.533 ( 2.738 -3.248 -1.652) 4.559 4.997 ( -0.622 0.058 0.022) 0.625 5.396 ( 20.427 -5.249 4.017) 21.470 6.376 ( -7.686 3.743 1.321) 8.650 7.020 ( -3.513 -7.701 0.649) 8.489 7.587 ( 0.004 0.368 0.128) 0.390 7.703 ( 2.022 0.446 -1.668) 2.659 7.824 ( 2.867 1.238 0.186) 3.128 8.006 ( -1.596 -0.996 -3.232) 3.740 8.142 ( -1.395 -0.094 1.356) 1.948 8.697 ( -1.274 2.741 0.279) 3.036 9.184 ( 2.092 0.829 -0.409) 2.287 9.833 ( -3.845 1.656 -0.824) 4.267 10.523 ( -1.697 -0.089 0.278) 1.722 11.343 ( -1.925 2.399 0.080) 3.077 11.818 ( 3.050 -1.471 0.049) 3.386 11.887 ( 0.300 3.930 0.859) 4.034 12.092 ( 1.130 4.616 0.101) 4.753 12.282 ( 1.791 -0.727 0.535) 2.006 12.722 ( 1.303 0.846 -1.477) 2.143 12.839 ( 0.955 -2.188 0.890) 2.547 12.950 ( -1.982 1.203 -0.075) 2.320 13.002 ( -2.417 1.317 0.812) 2.869 13.096 ( 0.907 -0.390 0.136) 0.996 13.371 ( -0.926 -4.111 0.399) 4.233 13.687 ( -1.173 2.218 0.143) 2.513 14.159 ( -4.190 1.783 -0.157) 4.556 14.447 ( 5.824 1.597 -0.616) 6.070 ======================= Grid point 90 (40/165) ======================= q-point: (-0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 3.768 1.598 0.180) 4.096 1.563 ( -3.578 1.741 -0.825) 4.064 1.908 ( 3.593 -1.938 -1.621) 4.392 2.081 ( -1.676 2.135 -0.283) 2.729 2.207 ( -5.295 5.380 -0.373) 7.558 2.508 ( -0.465 -5.930 0.480) 5.968 2.717 ( 0.639 -1.553 -0.135) 1.685 2.853 ( 0.296 -1.150 -1.169) 1.666 2.927 ( -1.035 1.768 0.683) 2.160 3.282 ( -4.106 -4.465 1.376) 6.220 3.594 ( 4.914 2.335 -2.096) 5.831 3.779 ( -7.120 -2.495 0.099) 7.546 3.925 ( 4.028 8.772 -2.416) 9.950 4.076 ( -8.290 8.256 2.725) 12.013 4.576 ( 0.191 -2.104 0.730) 2.235 5.046 ( 1.172 -4.403 -0.128) 4.559 5.701 ( 19.371 -3.974 1.775) 19.854 6.232 ( -10.164 2.945 0.373) 10.588 7.125 ( -2.842 -8.121 0.697) 8.632 7.573 ( 0.148 1.173 -0.454) 1.267 7.697 ( 0.955 1.603 -0.740) 2.007 7.821 ( 2.886 2.001 -0.309) 3.525 7.972 ( -1.614 1.019 -1.880) 2.679 8.153 ( -1.657 -1.397 0.757) 2.296 8.650 ( -0.250 1.680 0.137) 1.704 9.174 ( 0.939 1.567 -0.936) 2.053 9.829 ( -0.524 -3.761 0.816) 3.884 10.522 ( -0.745 -0.913 0.457) 1.264 11.312 ( -0.415 0.175 1.030) 1.124 11.813 ( -0.116 2.956 0.397) 2.985 11.885 ( 1.309 -0.856 1.313) 2.042 12.027 ( 0.614 3.696 0.012) 3.746 12.292 ( 0.575 1.006 0.188) 1.174 12.716 ( 1.306 0.375 -1.839) 2.286 12.888 ( 1.629 -1.249 0.147) 2.058 12.926 ( -1.648 -0.750 0.959) 2.049 12.963 ( -2.205 1.168 1.141) 2.744 13.108 ( 0.302 -0.150 0.145) 0.367 13.433 ( -0.687 -4.019 -0.066) 4.078 13.637 ( -0.673 2.918 0.872) 3.119 14.101 ( -1.733 1.146 -0.732) 2.203 14.456 ( 2.987 1.820 -1.163) 3.686 ======================= Grid point 91 (41/165) ======================= q-point: (-0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -2.757 5.990 1.100) 6.685 1.469 ( 3.424 7.479 -2.143) 8.500 1.846 ( -0.916 6.416 -0.999) 6.558 1.972 ( 1.053 10.044 2.129) 10.321 2.196 ( 1.807 -5.406 0.087) 5.701 2.572 ( -1.821 -2.978 -1.421) 3.769 2.711 ( 0.767 2.878 0.375) 3.002 2.815 ( 0.364 6.638 0.661) 6.681 2.901 ( 0.155 1.260 0.950) 1.585 3.336 ( -1.144 -1.981 0.739) 2.403 3.520 ( 1.027 5.126 -3.157) 6.107 3.727 ( -1.096 10.296 -1.846) 10.517 3.790 ( -2.934 0.247 -0.440) 2.977 3.947 ( 0.985 4.632 3.596) 5.946 4.618 ( -1.181 -2.470 1.419) 3.084 5.124 ( 2.520 -1.435 1.632) 3.328 5.860 ( -2.256 -3.486 0.208) 4.158 6.133 ( -0.506 1.747 1.360) 2.271 7.233 ( -0.828 -6.041 0.639) 6.131 7.546 ( 0.167 2.012 -0.869) 2.198 7.663 ( 0.226 2.413 -0.247) 2.436 7.796 ( -0.254 3.072 0.401) 3.108 7.953 ( 2.440 0.379 -1.082) 2.696 8.150 ( -0.447 0.489 0.405) 0.776 8.641 ( 0.102 -0.309 0.471) 0.572 9.148 ( 0.464 1.516 -1.000) 1.874 9.942 ( -0.605 -9.854 -0.984) 9.922 10.543 ( -0.123 -1.752 0.323) 1.786 11.340 ( 0.100 -3.026 0.782) 3.127 11.772 ( -0.164 1.878 0.441) 1.936 11.895 ( -1.355 -0.027 -0.174) 1.366 11.997 ( 0.655 0.740 0.312) 1.036 12.273 ( 0.411 1.738 0.483) 1.851 12.714 ( 0.839 -0.174 -1.982) 2.159 12.899 ( 0.553 0.772 -0.243) 0.980 12.934 ( -1.830 -0.519 1.344) 2.329 12.966 ( 0.291 -2.288 0.773) 2.433 13.105 ( -0.730 0.247 -0.266) 0.816 13.469 ( 0.247 0.450 0.060) 0.517 13.611 ( -0.141 -0.751 1.141) 1.373 14.082 ( 0.846 0.296 -0.573) 1.064 14.437 ( -0.024 1.299 -1.098) 1.701 ======================= Grid point 92 (42/165) ======================= q-point: (-0.12 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -1.289 11.797 2.209) 12.071 1.359 ( 8.747 12.600 3.776) 15.797 1.753 ( -1.478 3.617 4.191) 5.730 1.906 ( 8.637 5.652 3.638) 10.945 2.290 ( 2.167 -0.769 2.637) 3.499 2.566 ( -3.384 -0.197 -0.673) 3.456 2.611 ( 1.508 11.624 2.645) 12.016 2.709 ( 2.176 6.082 2.304) 6.859 2.872 ( 1.738 4.019 0.559) 4.414 3.271 ( 2.401 6.011 -2.766) 7.040 3.491 ( 2.801 12.623 0.731) 12.951 3.550 ( 3.119 -1.443 -2.243) 4.104 3.785 ( 4.616 2.230 1.810) 5.437 3.927 ( -3.723 -0.844 0.770) 3.894 4.643 ( -3.006 -1.873 2.140) 4.138 5.133 ( 0.116 3.550 2.044) 4.098 5.830 ( -14.866 -4.955 0.704) 15.685 6.155 ( 4.896 1.106 3.212) 5.959 7.276 ( -3.456 0.615 0.786) 3.597 7.513 ( 2.452 1.510 -1.094) 3.080 7.638 ( 0.594 0.861 0.393) 1.117 7.741 ( 0.488 3.176 0.315) 3.228 7.974 ( 4.653 1.059 -1.477) 4.996 8.149 ( -0.261 -0.565 0.763) 0.984 8.662 ( 0.317 -1.488 0.962) 1.800 9.126 ( 0.428 1.005 -0.855) 1.387 10.102 ( -3.285 -12.293 -4.315) 13.436 10.575 ( -0.244 -2.062 0.051) 2.077 11.412 ( -0.569 -5.397 -0.536) 5.454 11.753 ( 1.075 1.170 -0.011) 1.589 11.878 ( -3.033 -1.443 -1.327) 3.612 12.004 ( 0.431 -0.691 -0.079) 0.818 12.253 ( 0.618 1.660 0.809) 1.947 12.717 ( 0.331 -0.745 -1.771) 1.950 12.876 ( -0.974 1.445 0.124) 1.748 12.953 ( 0.353 -1.319 1.082) 1.742 13.011 ( 0.136 -2.630 -0.303) 2.651 13.086 ( -1.044 0.463 -0.919) 1.466 13.432 ( 0.758 4.073 1.127) 4.294 13.664 ( 0.505 -3.898 0.428) 3.954 14.098 ( 3.123 0.010 0.121) 3.125 14.406 ( -2.733 0.195 -0.435) 2.774 ======================= Grid point 96 (43/165) ======================= q-point: ( 0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 4.379 0.000 3.120) 5.377 1.504 ( -1.330 -0.000 6.947) 7.073 1.647 ( -3.577 -0.000 0.398) 3.599 1.927 ( 0.268 0.000 8.022) 8.026 2.161 ( -0.247 -0.000 -1.129) 1.155 2.359 ( -3.947 -0.000 -0.575) 3.989 2.519 ( 0.630 0.000 -0.968) 1.155 2.888 ( 0.855 0.000 1.770) 1.965 3.083 ( -4.088 -0.000 1.652) 4.409 3.100 ( 1.629 0.000 -5.345) 5.588 3.585 ( -1.063 -0.000 6.690) 6.774 3.809 ( -0.095 -0.000 -3.279) 3.280 4.130 ( 5.325 0.000 2.939) 6.082 4.304 ( -8.262 -0.000 -2.568) 8.652 4.370 ( 11.397 0.000 -4.499) 12.253 5.067 ( -14.027 -0.000 0.429) 14.033 5.263 ( 28.103 0.000 5.676) 28.671 6.455 ( -9.642 -0.000 0.786) 9.674 6.871 ( -2.085 -0.000 0.601) 2.170 7.586 ( -0.180 -0.000 0.575) 0.602 7.717 ( 2.688 0.000 -2.645) 3.771 7.803 ( 1.450 0.000 0.168) 1.460 8.002 ( 0.678 0.000 -4.676) 4.725 8.163 ( -1.993 -0.000 2.365) 3.093 8.751 ( -1.796 -0.000 0.927) 2.021 9.200 ( 2.664 0.000 -0.044) 2.664 9.887 ( -5.390 -0.000 -1.288) 5.542 10.527 ( -1.840 -0.000 0.249) 1.856 11.404 ( -2.577 -0.000 -0.031) 2.577 11.781 ( 3.978 0.000 0.099) 3.980 11.981 ( -0.062 -0.000 0.424) 0.429 12.213 ( -0.118 -0.000 0.358) 0.377 12.231 ( 4.777 0.000 1.638) 5.050 12.768 ( 1.348 0.000 0.013) 1.348 12.768 ( 0.469 0.000 -0.259) 0.536 12.985 ( -1.676 -0.000 0.256) 1.695 13.028 ( -2.691 -0.000 0.031) 2.691 13.081 ( -0.445 -0.000 0.208) 0.492 13.294 ( 0.399 0.000 0.507) 0.645 13.721 ( -1.496 -0.000 -0.140) 1.503 14.198 ( -4.494 -0.000 0.393) 4.511 14.476 ( 5.969 0.000 -0.604) 5.999 ======================= Grid point 97 (44/165) ======================= q-point: ( 0.50 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 3.575 -1.011 0.521) 3.752 1.580 ( -3.615 -1.978 1.367) 4.342 1.663 ( -1.855 -10.234 0.911) 10.441 1.981 ( -1.417 -2.658 6.560) 7.218 2.195 ( -1.750 -3.065 -0.775) 3.614 2.346 ( -2.148 -3.515 -0.046) 4.120 2.566 ( 0.844 -4.952 -0.894) 5.102 2.871 ( -1.332 0.888 -3.067) 3.460 2.978 ( -1.731 4.244 -1.720) 4.896 3.146 ( -2.684 -4.300 -2.795) 5.789 3.594 ( -1.241 0.183 3.273) 3.505 3.784 ( -1.628 0.390 -2.399) 2.925 4.152 ( 0.848 2.721 -1.323) 3.143 4.198 ( -1.310 3.080 -0.644) 3.409 4.487 ( 4.045 -4.253 -1.370) 6.027 4.952 ( -6.490 0.043 -0.291) 6.497 5.573 ( 21.509 -2.943 2.670) 21.873 6.316 ( -13.102 1.747 -1.506) 13.304 6.895 ( -1.626 -4.257 0.686) 4.608 7.587 ( -0.307 -0.170 0.294) 0.458 7.721 ( 2.203 0.594 -2.684) 3.523 7.833 ( 0.865 -1.899 0.331) 2.112 7.970 ( -0.273 0.550 -5.578) 5.611 8.151 ( -1.099 0.919 2.212) 2.636 8.726 ( -1.077 1.718 0.811) 2.184 9.213 ( 1.346 0.680 -0.551) 1.606 9.844 ( -0.795 1.831 2.618) 3.292 10.515 ( -0.716 0.217 0.871) 1.149 11.375 ( -0.454 2.079 1.658) 2.698 11.829 ( 2.710 -0.937 1.778) 3.373 11.957 ( 0.085 3.146 1.140) 3.347 12.177 ( 0.632 3.918 0.655) 4.022 12.288 ( 1.383 -1.193 0.823) 2.003 12.749 ( 1.350 1.516 -0.673) 2.139 12.815 ( 0.806 -2.269 1.022) 2.616 12.956 ( -1.387 1.307 -0.179) 1.914 13.001 ( -2.094 0.637 0.858) 2.351 13.090 ( 0.255 -0.836 0.149) 0.887 13.314 ( -0.415 -2.046 0.191) 2.096 13.705 ( -0.527 0.826 0.414) 1.063 14.151 ( -2.673 1.287 -0.326) 2.984 14.506 ( 2.954 0.925 -1.540) 3.458 ======================= Grid point 98 (45/165) ======================= q-point: (-0.38 -0.62 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.004 -0.901 -0.688) 1.134 1.548 ( -1.836 0.565 -0.706) 2.046 1.858 ( 1.725 -10.043 -1.398) 10.285 2.035 ( -3.403 -2.340 1.178) 4.295 2.207 ( -0.675 -1.035 0.532) 1.345 2.413 ( -1.881 -5.075 0.889) 5.485 2.657 ( -0.024 -4.840 -1.015) 4.945 2.831 ( 0.545 -0.244 -3.998) 4.042 2.905 ( -3.985 -0.226 -3.061) 5.030 3.178 ( -1.958 -4.498 -0.767) 4.965 3.612 ( -1.618 -3.130 -0.413) 3.547 3.729 ( -0.309 3.676 -2.101) 4.246 4.029 ( -3.932 5.663 -4.770) 8.384 4.176 ( 3.073 4.269 2.616) 5.875 4.547 ( 0.755 -1.206 0.063) 1.424 4.976 ( 1.590 -5.220 0.697) 5.501 5.726 ( -6.453 -4.199 -0.529) 7.717 6.195 ( -0.398 1.861 -1.679) 2.538 6.983 ( -0.325 -6.991 0.673) 7.031 7.585 ( -0.185 0.309 -0.050) 0.363 7.713 ( 0.747 0.687 -1.896) 2.150 7.857 ( 0.107 0.307 -1.062) 1.110 7.946 ( 0.469 -1.380 -3.584) 3.869 8.143 ( -0.002 0.428 1.998) 2.044 8.688 ( 0.113 2.501 0.497) 2.553 9.198 ( 0.045 1.200 -1.018) 1.574 9.840 ( 2.696 2.038 4.181) 5.376 10.515 ( 0.197 0.092 1.083) 1.105 11.350 ( 1.039 2.565 2.608) 3.803 11.864 ( 0.777 1.193 1.620) 2.156 11.908 ( -0.073 2.577 2.177) 3.374 12.109 ( 0.345 4.941 0.622) 4.992 12.304 ( -0.451 -0.146 0.331) 0.578 12.734 ( 1.332 1.272 -1.317) 2.265 12.864 ( -0.356 -2.270 1.610) 2.806 12.929 ( 0.250 0.925 -0.136) 0.968 12.977 ( -0.613 1.218 1.336) 1.909 13.103 ( -0.226 -0.430 -0.099) 0.496 13.358 ( -0.484 -3.824 -0.069) 3.855 13.684 ( 0.289 2.116 1.001) 2.358 14.109 ( -0.201 1.374 -0.834) 1.620 14.488 ( -0.349 1.461 -2.144) 2.618 ======================= Grid point 99 (46/165) ======================= q-point: (-0.25 -0.62 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -5.236 1.792 -0.723) 5.581 1.552 ( 2.906 -0.052 -1.250) 3.164 1.976 ( 5.403 3.039 -3.438) 7.089 1.999 ( -6.082 -3.202 2.014) 7.162 2.207 ( 4.856 2.740 -0.492) 5.598 2.478 ( -2.044 -4.521 -1.064) 5.075 2.701 ( -2.533 -3.063 -0.070) 3.976 2.858 ( 0.103 -1.057 -1.225) 1.621 2.874 ( -2.084 -3.115 -2.249) 4.371 3.265 ( 1.567 -5.760 0.143) 5.971 3.593 ( -4.899 2.556 -1.714) 5.785 3.696 ( 3.887 -1.032 -3.183) 5.129 3.871 ( -2.137 6.500 -2.656) 7.339 4.129 ( 5.646 7.759 2.781) 9.991 4.571 ( -0.394 -1.562 0.412) 1.663 5.106 ( 2.610 -5.005 2.168) 6.046 5.627 ( -24.910 -6.450 -1.449) 25.773 6.206 ( 6.285 1.796 -0.407) 6.549 7.120 ( 1.616 -7.834 0.342) 8.006 7.572 ( 0.303 1.159 -0.496) 1.297 7.685 ( -1.184 1.482 -1.064) 2.175 7.828 ( -0.958 1.700 -0.502) 2.015 7.966 ( 1.931 -1.056 -2.001) 2.975 8.165 ( 1.802 -0.590 1.429) 2.374 8.657 ( 0.567 1.718 0.299) 1.834 9.170 ( -0.200 1.276 -1.112) 1.704 9.870 ( 3.016 -0.047 2.680) 4.035 10.528 ( 0.631 -0.505 0.740) 1.096 11.342 ( 1.389 1.316 2.293) 2.987 11.821 ( 0.138 3.478 1.002) 3.622 11.893 ( -1.701 1.105 1.550) 2.553 12.040 ( -0.082 3.530 0.522) 3.569 12.298 ( -0.361 0.487 0.373) 0.711 12.718 ( 0.982 0.866 -1.814) 2.237 12.890 ( -2.200 -1.248 1.216) 2.806 12.930 ( 1.908 0.348 0.092) 1.942 12.971 ( 1.010 0.558 1.669) 2.029 13.097 ( -1.080 0.154 -0.548) 1.221 13.426 ( 0.029 -4.307 -0.348) 4.321 13.651 ( 0.728 2.987 1.550) 3.443 14.101 ( 2.473 0.440 -0.709) 2.610 14.434 ( -3.285 1.287 -2.168) 4.141 ======================= Grid point 100 (47/165) ======================= q-point: (-0.12 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -3.045 3.472 0.680) 4.668 1.561 ( 3.796 2.747 -0.669) 4.733 1.861 ( -0.083 7.926 1.675) 8.102 2.072 ( 6.282 -0.970 2.873) 6.975 2.246 ( 3.831 -2.659 -0.286) 4.672 2.493 ( -5.305 -2.412 -1.103) 5.931 2.723 ( 0.317 0.004 0.839) 0.897 2.817 ( -1.767 2.776 -0.291) 3.303 2.917 ( 1.403 -0.525 -0.001) 1.498 3.345 ( 2.893 -0.040 -1.288) 3.167 3.546 ( 3.811 -0.991 -1.153) 4.103 3.675 ( -1.626 5.138 -1.676) 5.643 3.797 ( 1.853 0.390 -1.195) 2.239 4.079 ( 11.324 9.273 3.209) 14.984 4.590 ( -2.319 -1.603 1.113) 3.031 5.147 ( -7.312 -0.433 1.489) 7.474 5.532 ( -18.937 -8.805 0.179) 20.884 6.228 ( 3.112 0.941 1.648) 3.645 7.245 ( 1.057 -3.875 0.330) 4.030 7.549 ( 1.088 1.696 -0.830) 2.179 7.644 ( -1.451 0.713 -0.212) 1.631 7.781 ( -1.098 2.254 0.170) 2.513 8.004 ( 2.400 -1.825 -1.290) 3.279 8.188 ( 3.039 1.927 0.805) 3.687 8.650 ( 0.118 -0.321 0.359) 0.496 9.145 ( 0.368 1.045 -0.977) 1.477 9.924 ( 0.093 -3.714 -0.785) 3.797 10.550 ( 0.366 -1.054 0.297) 1.155 11.357 ( 0.453 -0.955 0.840) 1.350 11.786 ( 0.720 1.561 0.541) 1.802 11.849 ( -2.394 1.637 0.023) 2.901 12.004 ( -0.379 0.754 0.204) 0.868 12.287 ( 0.268 1.044 0.370) 1.140 12.708 ( 0.841 0.186 -1.905) 2.091 12.881 ( -1.921 0.312 0.796) 2.103 12.948 ( 1.502 -0.287 0.269) 1.552 12.993 ( 1.202 -0.681 1.230) 1.850 13.075 ( -1.251 0.357 -1.041) 1.666 13.476 ( 0.332 -0.848 0.026) 0.911 13.634 ( 0.605 0.122 1.390) 1.521 14.134 ( 4.839 -0.353 -0.117) 4.853 14.367 ( -5.313 0.410 -1.551) 5.550 ======================= Grid point 105 (48/165) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 0.492 0.000 -0.059) 0.496 1.472 ( -6.074 -0.000 1.905) 6.366 1.578 ( -2.389 -0.000 -0.722) 2.495 1.993 ( -4.010 -0.000 9.284) 10.112 2.140 ( -0.011 -0.000 -2.380) 2.380 2.302 ( -0.353 -0.000 -1.720) 1.756 2.521 ( 0.584 0.000 -0.878) 1.054 2.833 ( -2.773 -0.000 -5.103) 5.808 3.001 ( -4.780 -0.000 -1.186) 4.925 3.041 ( 0.647 0.000 -10.152) 10.173 3.576 ( -5.039 -0.000 2.740) 5.736 3.780 ( 2.437 0.000 -2.517) 3.504 4.107 ( -5.287 -0.000 -3.077) 6.117 4.268 ( 3.237 0.000 -1.619) 3.619 4.497 ( 5.543 0.000 1.945) 5.874 4.900 ( -1.787 -0.000 -1.682) 2.454 5.640 ( -8.060 -0.000 -0.562) 8.079 6.233 ( -0.182 -0.000 -3.142) 3.147 6.856 ( -0.181 -0.000 0.779) 0.800 7.582 ( -0.534 -0.000 0.116) 0.546 7.732 ( 1.676 0.000 -2.840) 3.298 7.818 ( -0.012 -0.000 0.273) 0.274 7.941 ( 0.248 0.000 -7.273) 7.278 8.166 ( -0.310 -0.000 2.858) 2.875 8.739 ( -0.318 -0.000 0.904) 0.959 9.221 ( -0.148 -0.000 -0.893) 0.905 9.900 ( 3.857 0.000 5.872) 7.025 10.525 ( 0.575 0.000 1.784) 1.874 11.412 ( 1.415 0.000 3.234) 3.530 11.858 ( 1.533 0.000 3.665) 3.973 11.994 ( 0.233 0.000 1.600) 1.617 12.224 ( 0.268 0.000 1.241) 1.270 12.277 ( -1.459 -0.000 0.454) 1.528 12.780 ( 0.718 0.000 0.121) 0.728 12.801 ( 0.934 0.000 1.387) 1.672 12.955 ( -0.782 -0.000 -0.690) 1.043 12.997 ( -0.463 -0.000 0.903) 1.015 13.087 ( 0.463 0.000 0.605) 0.762 13.293 ( -0.612 -0.000 -0.167) 0.634 13.714 ( 0.505 0.000 0.873) 1.008 14.142 ( -0.795 -0.000 -0.866) 1.175 14.515 ( -0.515 -0.000 -2.495) 2.547 ======================= Grid point 106 (49/165) ======================= q-point: (-0.38 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -5.782 -0.884 -0.441) 5.866 1.534 ( -1.752 -4.234 -0.553) 4.616 1.596 ( -3.575 -11.010 -2.353) 11.813 1.989 ( -5.517 -1.008 6.956) 8.935 2.186 ( 1.219 -4.411 -0.288) 4.585 2.314 ( 0.500 -2.852 -1.758) 3.387 2.567 ( 0.084 -4.664 -1.230) 4.824 2.768 ( -5.763 -1.826 -7.886) 9.937 2.876 ( -1.501 4.955 -6.942) 8.660 3.072 ( 0.834 -5.795 -6.059) 8.426 3.543 ( -4.877 -0.555 1.942) 5.279 3.794 ( 4.811 1.452 -1.958) 5.393 4.013 ( -6.398 2.274 -4.777) 8.302 4.272 ( 4.305 2.174 0.034) 4.823 4.563 ( 2.809 -0.415 1.947) 3.443 4.929 ( 4.526 -3.137 -1.231) 5.643 5.443 ( -31.365 -3.776 -2.996) 31.734 6.264 ( 8.369 1.307 -3.318) 9.097 6.899 ( 1.136 -4.098 0.742) 4.316 7.580 ( -0.556 -0.328 0.048) 0.648 7.719 ( 0.135 0.791 -2.439) 2.568 7.833 ( -0.921 -1.557 -0.015) 1.809 7.912 ( 1.971 -0.624 -7.035) 7.332 8.174 ( 0.338 0.999 3.145) 3.318 8.730 ( 0.377 1.560 0.523) 1.688 9.203 ( -1.101 0.662 -0.955) 1.601 9.968 ( 7.293 2.870 6.898) 10.440 10.540 ( 1.408 0.742 2.201) 2.716 11.432 ( 2.728 2.488 3.989) 5.436 11.889 ( -0.223 -0.040 4.259) 4.265 11.975 ( 0.005 3.361 2.025) 3.923 12.189 ( -0.951 3.950 1.119) 4.214 12.275 ( -2.683 -1.612 0.404) 3.156 12.766 ( 0.636 1.737 -0.196) 1.860 12.836 ( -0.525 -1.780 2.175) 2.859 12.945 ( 0.871 0.434 -0.682) 1.189 13.002 ( 1.185 0.559 0.938) 1.611 13.097 ( 0.194 -0.052 0.478) 0.518 13.302 ( -0.639 -2.137 -0.303) 2.251 13.722 ( 1.249 0.905 1.247) 1.984 14.131 ( 1.568 0.937 -1.228) 2.201 14.472 ( -3.826 0.710 -3.143) 5.002 ======================= Grid point 107 (50/165) ======================= q-point: (-0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -7.951 -1.216 -1.099) 8.118 1.549 ( 0.626 -1.029 -1.572) 1.981 1.762 ( -8.809 -12.373 -1.345) 15.248 2.037 ( 1.023 -4.877 1.583) 5.229 2.260 ( 5.309 -0.776 -0.107) 5.366 2.388 ( -1.190 -5.078 -0.122) 5.217 2.591 ( -6.230 -3.012 -3.540) 7.773 2.730 ( -5.250 -4.844 -7.409) 10.292 2.814 ( 1.320 -3.091 -2.944) 4.468 3.175 ( 3.696 -7.275 -5.296) 9.728 3.522 ( -3.954 -0.781 1.635) 4.350 3.781 ( 2.205 4.515 -0.762) 5.082 3.884 ( -4.593 1.721 -4.410) 6.596 4.289 ( 7.350 2.798 0.484) 7.880 4.584 ( 1.041 0.485 0.322) 1.193 5.020 ( -7.222 -4.891 0.755) 8.755 5.243 ( -18.638 -7.922 -2.547) 20.411 6.277 ( 3.031 1.846 -2.529) 4.358 7.016 ( 2.461 -7.104 0.353) 7.526 7.581 ( -0.166 -0.049 -0.051) 0.180 7.685 ( -1.314 1.071 -1.844) 2.504 7.834 ( -0.707 0.139 -0.745) 1.037 7.932 ( 1.828 -2.561 -4.594) 5.568 8.182 ( 0.778 0.210 2.576) 2.699 8.703 ( 0.536 2.363 0.151) 2.428 9.173 ( -1.134 0.796 -0.869) 1.636 10.008 ( 8.114 5.701 6.029) 11.605 10.549 ( 1.512 1.054 1.581) 2.428 11.425 ( 2.837 3.891 3.542) 5.978 11.887 ( -1.107 2.285 2.889) 3.846 11.918 ( -1.480 3.384 2.414) 4.412 12.106 ( -1.787 4.568 0.656) 4.948 12.281 ( -1.786 -1.341 0.501) 2.289 12.740 ( 0.572 1.569 -0.986) 1.940 12.864 ( -1.218 -1.001 2.197) 2.704 12.954 ( 1.817 -0.001 0.075) 1.819 13.008 ( 1.725 1.123 1.079) 2.324 13.091 ( -0.598 0.648 -0.172) 0.898 13.350 ( -0.147 -4.146 -0.490) 4.178 13.716 ( 1.287 2.366 1.520) 3.092 14.137 ( 4.115 0.648 -1.055) 4.297 14.391 ( -6.190 0.816 -3.210) 7.021 ======================= Grid point 108 (51/165) ======================= q-point: (-0.12 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -5.332 -1.333 -0.288) 5.504 1.574 ( 0.548 -1.926 -1.226) 2.348 1.834 ( -8.972 -8.435 1.995) 12.475 2.103 ( 4.961 1.688 -2.876) 5.978 2.322 ( 6.636 0.452 0.462) 6.668 2.390 ( -6.096 -0.984 -1.042) 6.262 2.629 ( -3.643 -9.816 -1.145) 10.533 2.755 ( -2.197 -4.858 -3.325) 6.284 2.893 ( 0.851 -3.714 -0.544) 3.849 3.312 ( 4.105 -6.911 -5.261) 9.607 3.508 ( -2.595 -1.510 0.329) 3.020 3.710 ( 0.035 2.896 0.199) 2.903 3.831 ( -1.726 0.796 -0.625) 2.001 4.326 ( 10.191 3.276 0.583) 10.720 4.570 ( -4.235 -0.505 -0.097) 4.266 4.941 ( -17.166 -4.315 0.708) 17.714 5.318 ( 1.647 -6.064 -0.442) 6.299 6.255 ( -0.708 0.369 -0.254) 0.838 7.167 ( 2.459 -7.289 0.068) 7.693 7.575 ( 0.387 0.747 -0.339) 0.907 7.643 ( -1.539 1.281 -0.970) 2.226 7.807 ( -1.299 1.832 0.597) 2.324 7.967 ( 1.528 -2.588 -3.845) 4.880 8.213 ( 0.339 -1.548 1.443) 2.143 8.668 ( 0.187 1.993 0.008) 2.002 9.150 ( -0.484 0.385 -0.896) 1.089 9.995 ( 5.620 6.991 3.644) 9.682 10.554 ( 1.061 0.513 0.651) 1.346 11.398 ( 1.488 3.583 2.037) 4.382 11.835 ( -0.126 3.462 1.477) 3.766 11.866 ( -2.746 2.125 1.799) 3.911 12.028 ( -1.110 2.896 0.219) 3.109 12.287 ( -1.039 -0.733 0.205) 1.288 12.718 ( 0.900 1.010 -1.469) 1.997 12.871 ( -1.004 -0.094 1.532) 1.834 12.969 ( 1.152 0.428 0.433) 1.303 13.012 ( 1.025 0.617 1.357) 1.809 13.069 ( -0.427 0.755 -0.686) 1.106 13.422 ( 0.040 -4.568 -0.661) 4.616 13.685 ( 0.513 3.267 1.619) 3.682 14.180 ( 6.128 -0.281 -0.507) 6.155 14.301 ( -6.966 0.238 -2.608) 7.442 ======================= Grid point 114 (52/165) ======================= q-point: (-0.38 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -11.302 -0.000 -1.836) 11.450 1.358 ( -11.191 -0.000 0.118) 11.192 1.563 ( 0.860 0.000 -2.074) 2.246 1.954 ( -9.380 -0.000 8.770) 12.841 2.117 ( 0.508 0.000 -2.312) 2.367 2.320 ( 4.640 0.000 -2.690) 5.363 2.519 ( 0.487 0.000 -1.541) 1.617 2.607 ( -12.586 -0.000 -9.874) 15.997 2.915 ( 0.617 0.000 -14.609) 14.623 2.959 ( 2.915 0.000 -3.970) 4.925 3.526 ( -1.409 -0.000 4.145) 4.378 3.828 ( 2.134 0.000 -3.292) 3.923 3.950 ( -5.624 -0.000 -2.949) 6.350 4.347 ( 7.905 0.000 -0.585) 7.927 4.548 ( -11.132 -0.000 2.898) 11.503 4.970 ( 11.842 0.000 -3.652) 12.393 5.067 ( -29.788 -0.000 -2.738) 29.914 6.319 ( 3.984 0.000 -4.459) 5.980 6.882 ( 1.919 0.000 0.899) 2.119 7.571 ( -0.636 -0.000 0.062) 0.639 7.709 ( -1.061 -0.000 -2.448) 2.668 7.807 ( -1.560 -0.000 0.283) 1.586 7.892 ( 3.490 0.000 -7.856) 8.596 8.206 ( 0.354 0.000 3.766) 3.783 8.747 ( 0.162 0.000 0.147) 0.219 9.191 ( -1.481 -0.000 -0.592) 1.595 10.119 ( 10.186 0.000 6.893) 12.299 10.582 ( 2.260 0.000 3.251) 3.960 11.511 ( 4.021 0.000 4.387) 5.951 11.903 ( -2.301 -0.000 5.073) 5.570 12.022 ( 0.423 0.000 2.394) 2.431 12.195 ( -6.589 -0.000 0.243) 6.593 12.245 ( 0.024 0.000 1.718) 1.718 12.794 ( 0.173 0.000 0.688) 0.709 12.817 ( -1.194 -0.000 2.105) 2.420 12.954 ( 1.524 0.000 -0.964) 1.803 13.027 ( 2.153 0.000 0.541) 2.220 13.110 ( 0.890 0.000 1.053) 1.379 13.273 ( -1.001 -0.000 -0.409) 1.081 13.752 ( 1.802 0.000 1.378) 2.269 14.156 ( 3.649 0.000 -1.414) 3.913 14.407 ( -6.696 -0.000 -3.845) 7.722 ======================= Grid point 115 (53/165) ======================= q-point: (-0.25 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -14.280 -2.546 -0.802) 14.528 1.355 ( -13.810 -16.988 -1.946) 21.979 1.556 ( -0.305 -1.106 -2.094) 2.387 1.932 ( -6.855 -4.109 5.544) 9.727 2.207 ( 0.614 -9.417 -0.008) 9.437 2.349 ( 2.953 0.286 -2.390) 3.810 2.425 ( -12.304 -1.292 -7.693) 14.568 2.575 ( -0.603 -5.776 -3.833) 6.959 2.796 ( 1.599 2.779 -9.528) 10.053 3.035 ( 1.202 -7.099 -8.481) 11.125 3.548 ( 2.763 1.842 5.136) 6.116 3.805 ( -3.563 -1.015 -4.138) 5.555 3.858 ( -4.290 4.614 -0.418) 6.314 4.336 ( -20.787 -2.296 0.592) 20.921 4.461 ( -1.590 -3.243 -0.985) 3.744 4.892 ( -3.971 0.035 0.151) 3.974 5.128 ( 14.413 -3.785 -3.067) 15.214 6.292 ( -1.973 1.248 -3.845) 4.498 6.947 ( 2.918 -4.236 0.764) 5.200 7.571 ( -0.414 -0.586 0.194) 0.744 7.677 ( -1.476 0.735 -2.058) 2.638 7.803 ( -2.598 -1.521 0.237) 3.020 7.896 ( 3.922 -0.919 -7.040) 8.111 8.216 ( -0.151 1.255 3.571) 3.788 8.736 ( -0.144 1.324 -0.152) 1.340 9.170 ( -1.380 0.587 -0.251) 1.520 10.223 ( 10.634 4.041 5.657) 12.705 10.606 ( 2.198 1.925 2.977) 4.171 11.545 ( 4.062 3.514 3.718) 6.532 11.893 ( -4.463 0.209 3.875) 5.915 11.996 ( -0.508 4.333 2.444) 5.000 12.133 ( -4.789 0.957 0.992) 4.983 12.250 ( -0.862 -0.265 1.233) 1.528 12.769 ( -0.071 1.993 0.195) 2.004 12.845 ( -0.899 -1.834 2.389) 3.143 12.966 ( 1.395 -0.116 -0.353) 1.443 13.044 ( 1.786 0.655 0.266) 1.921 13.111 ( 0.630 1.394 0.715) 1.689 13.285 ( -0.624 -2.749 -0.493) 2.862 13.767 ( 1.519 1.200 1.381) 2.378 14.189 ( 5.594 0.555 -1.177) 5.744 14.310 ( -8.025 0.165 -3.882) 8.917 ======================= Grid point 116 (54/165) ======================= q-point: (-0.12 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -10.578 -7.004 -0.460) 12.695 1.452 ( -11.539 -10.115 -0.497) 15.353 1.611 ( -2.797 -7.097 -0.668) 7.657 2.050 ( -1.650 -9.907 1.779) 10.200 2.244 ( -18.048 -5.302 -2.989) 19.047 2.387 ( 5.413 -4.457 0.227) 7.016 2.417 ( 2.184 -4.265 -3.808) 6.121 2.629 ( -0.031 -5.178 -3.878) 6.469 2.812 ( 0.518 -5.230 -1.904) 5.590 3.131 ( 0.370 -10.606 -9.607) 14.315 3.524 ( -3.278 4.214 2.630) 5.951 3.738 ( -3.229 1.198 -0.701) 3.515 3.798 ( -0.925 -0.898 0.772) 1.502 4.195 ( -26.974 -8.776 1.372) 28.399 4.510 ( 6.168 0.499 -1.039) 6.275 4.926 ( 7.043 -0.691 0.734) 7.115 5.316 ( 15.361 -2.213 -2.109) 15.662 6.227 ( -4.534 0.064 -1.581) 4.803 7.075 ( 3.369 -6.645 0.505) 7.467 7.578 ( -0.289 -0.230 0.177) 0.409 7.641 ( -1.091 0.736 -1.343) 1.880 7.800 ( -3.211 -1.069 0.386) 3.406 7.920 ( 2.824 -1.966 -5.755) 6.705 8.206 ( -1.271 0.837 2.568) 2.985 8.703 ( -0.503 2.050 -0.150) 2.116 9.146 ( -0.949 0.499 -0.287) 1.110 10.236 ( 8.341 9.126 4.361) 13.110 10.595 ( 1.374 2.441 1.356) 3.112 11.511 ( 2.124 5.937 2.303) 6.713 11.855 ( -4.548 0.519 1.712) 4.887 11.923 ( -0.572 4.811 2.617) 5.507 12.071 ( -1.869 3.044 0.806) 3.662 12.256 ( -1.601 -1.185 0.567) 2.071 12.740 ( 0.487 1.521 -0.619) 1.713 12.872 ( -0.416 -0.588 2.005) 2.131 12.978 ( 0.036 -0.177 0.525) 0.556 13.042 ( 0.851 1.253 0.038) 1.515 13.092 ( 0.658 1.655 0.540) 1.862 13.340 ( -0.180 -4.429 -0.748) 4.496 13.750 ( 0.218 2.898 1.192) 3.141 14.210 ( -5.560 -0.287 -3.048) 6.347 14.243 ( 5.127 0.160 -0.764) 5.187 ======================= Grid point 123 (55/165) ======================= q-point: (-0.25 -0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -20.104 -0.000 -1.809) 20.185 1.036 ( -21.696 -0.000 0.109) 21.696 1.520 ( -5.348 -0.000 -0.632) 5.385 1.842 ( -9.785 -0.000 2.678) 10.145 2.113 ( 1.150 0.000 -1.583) 1.957 2.190 ( -19.039 -0.000 -3.420) 19.344 2.424 ( 7.167 0.000 -2.091) 7.466 2.507 ( 0.785 0.000 -2.773) 2.882 2.785 ( 2.607 0.000 -13.568) 13.816 2.920 ( -2.787 -0.000 -5.508) 6.173 3.656 ( 5.590 0.000 6.285) 8.412 3.724 ( -4.870 -0.000 -4.095) 6.363 3.883 ( -2.694 -0.000 0.598) 2.760 3.920 ( -36.438 -0.000 -0.240) 36.438 4.532 ( 9.570 0.000 -0.851) 9.608 4.873 ( -0.662 -0.000 1.118) 1.300 5.283 ( 23.871 0.000 -3.621) 24.144 6.241 ( -6.096 -0.000 -3.432) 6.996 6.950 ( 4.154 0.000 1.050) 4.285 7.561 ( -0.600 -0.000 0.374) 0.707 7.659 ( -1.285 -0.000 -1.734) 2.159 7.755 ( -4.378 -0.000 0.341) 4.391 7.894 ( 4.729 0.000 -7.232) 8.641 8.244 ( -0.990 -0.000 3.757) 3.886 8.743 ( -0.327 -0.000 -0.282) 0.432 9.162 ( -1.379 -0.000 0.237) 1.399 10.382 ( 9.972 0.000 3.241) 10.486 10.669 ( 2.552 0.000 3.751) 4.537 11.639 ( 4.738 0.000 2.758) 5.482 11.855 ( -6.932 -0.000 2.557) 7.389 12.058 ( 0.378 0.000 2.681) 2.708 12.074 ( -6.205 -0.000 2.024) 6.526 12.256 ( -0.628 -0.000 1.255) 1.403 12.804 ( 0.025 0.000 0.867) 0.868 12.815 ( -1.150 -0.000 2.111) 2.404 12.975 ( 1.080 0.000 -0.366) 1.140 13.065 ( 0.876 0.000 0.249) 0.910 13.139 ( 1.243 0.000 0.235) 1.265 13.249 ( -1.106 -0.000 -0.343) 1.158 13.797 ( 0.999 0.000 1.107) 1.491 14.209 ( -8.165 -0.000 -3.871) 9.036 14.249 ( 6.660 0.000 -0.812) 6.709 ======================= Grid point 124 (56/165) ======================= q-point: (-0.12 -0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -19.665 -9.535 0.534) 21.862 1.024 ( -17.887 -21.789 1.392) 28.225 1.466 ( -12.861 -6.934 1.630) 14.702 1.788 ( -13.402 -7.495 -0.587) 15.367 2.029 ( -12.262 -0.211 2.719) 12.562 2.224 ( 0.454 -10.944 -0.329) 10.959 2.479 ( 7.218 0.754 -1.662) 7.445 2.545 ( 1.270 -4.094 -3.208) 5.354 2.743 ( 1.013 -0.802 -5.501) 5.651 2.921 ( -1.825 -7.334 -7.743) 10.820 3.505 ( -20.940 2.677 1.177) 21.143 3.671 ( -5.668 -0.762 -2.746) 6.344 3.835 ( 6.852 -0.333 3.103) 7.529 3.894 ( -6.902 -3.936 2.205) 8.245 4.592 ( 6.494 1.568 -0.621) 6.709 4.914 ( 0.662 -4.255 0.905) 4.400 5.504 ( 24.582 0.517 -2.788) 24.745 6.160 ( -6.915 -0.225 -1.391) 7.057 7.034 ( 5.432 -3.576 0.975) 6.576 7.566 ( -0.908 -0.825 0.499) 1.325 7.635 ( -0.870 0.561 -1.216) 1.597 7.724 ( -5.920 -2.000 0.392) 6.260 7.905 ( 4.460 -0.328 -6.721) 8.073 8.233 ( -1.943 1.700 3.273) 4.169 8.725 ( -0.684 1.513 -0.228) 1.676 9.145 ( -1.306 0.531 0.236) 1.430 10.448 ( 7.519 4.199 1.803) 8.799 10.675 ( 1.502 3.784 2.238) 4.645 11.642 ( 2.361 5.465 1.393) 6.114 11.808 ( -5.475 -1.004 0.977) 5.651 11.998 ( -2.305 3.238 2.625) 4.763 12.082 ( -2.082 0.023 1.816) 2.763 12.243 ( -1.019 0.831 0.796) 1.537 12.772 ( 0.046 2.100 0.397) 2.138 12.853 ( -0.870 -2.164 2.012) 3.080 12.981 ( 0.358 0.195 0.050) 0.411 13.065 ( 0.369 0.580 0.071) 0.691 13.131 ( 0.631 1.849 -0.009) 1.953 13.268 ( -0.451 -3.308 -0.594) 3.391 13.792 ( -0.426 1.654 0.628) 1.820 14.124 ( -5.721 -0.548 -2.846) 6.413 14.308 ( 6.530 0.299 -0.321) 6.545 ======================= Grid point 132 (57/165) ======================= q-point: (-0.12 -0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -23.081 -0.000 10.361) 25.300 0.602 ( -24.187 -0.000 9.147) 25.859 1.127 ( -41.345 -0.000 11.493) 42.912 1.666 ( -3.484 -0.000 0.054) 3.484 1.968 ( -6.407 -0.000 5.453) 8.414 2.125 ( 1.123 0.000 -0.391) 1.189 2.501 ( 1.505 0.000 -2.221) 2.683 2.540 ( 4.239 0.000 0.142) 4.241 2.754 ( 5.747 0.000 -6.662) 8.798 2.785 ( -2.931 -0.000 -3.746) 4.757 3.303 ( -18.564 -0.000 -0.103) 18.565 3.617 ( -2.438 -0.000 -2.343) 3.381 3.835 ( -2.658 -0.000 0.795) 2.774 3.956 ( 9.676 0.000 3.316) 10.228 4.663 ( 4.888 0.000 -0.493) 4.912 4.870 ( -1.472 -0.000 2.034) 2.510 5.723 ( 21.500 0.000 -2.333) 21.626 6.087 ( -6.100 -0.000 0.387) 6.112 7.073 ( 7.556 0.000 1.059) 7.630 7.537 ( -4.166 -0.000 0.709) 4.226 7.630 ( -0.329 -0.000 -1.214) 1.258 7.648 ( -5.576 -0.000 0.413) 5.591 7.913 ( 4.960 0.000 -6.819) 8.432 8.243 ( -2.859 -0.000 3.172) 4.270 8.734 ( -0.338 -0.000 -0.801) 0.869 9.138 ( -1.421 -0.000 0.112) 1.425 10.544 ( 4.794 0.000 0.130) 4.796 10.736 ( 0.909 0.000 0.718) 1.158 11.734 ( -5.408 -0.000 -0.166) 5.411 11.736 ( 3.290 0.000 0.146) 3.294 11.992 ( -5.128 -0.000 2.422) 5.671 12.084 ( -0.564 -0.000 1.603) 1.699 12.252 ( -0.565 -0.000 1.061) 1.202 12.813 ( -0.047 -0.000 0.668) 0.670 12.813 ( -1.465 -0.000 1.706) 2.249 12.987 ( 0.400 0.000 0.018) 0.400 13.068 ( -0.343 -0.000 -0.025) 0.344 13.156 ( 0.625 0.000 -0.678) 0.922 13.224 ( -0.860 -0.000 -0.366) 0.934 13.800 ( -1.167 -0.000 0.089) 1.170 14.063 ( -2.946 -0.000 -1.539) 3.323 14.368 ( 5.237 0.000 0.113) 5.238 ======================= Grid point 133 (58/165) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 2.485 0.000 17.263) 17.441 1.062 ( 1.253 0.000 23.100) 23.134 1.508 ( 2.532 0.000 17.957) 18.135 1.846 ( 5.176 0.000 9.629) 10.932 2.166 ( -5.766 -0.000 20.868) 21.649 2.180 ( 0.884 0.000 2.045) 2.228 2.474 ( 1.919 0.000 -2.549) 3.190 2.590 ( -1.524 -0.000 2.105) 2.599 2.781 ( 8.039 0.000 -0.557) 8.058 2.869 ( 11.602 0.000 -1.062) 11.651 3.035 ( -3.357 -0.000 -3.514) 4.859 3.524 ( 2.416 0.000 -3.308) 4.096 3.859 ( -0.206 -0.000 3.276) 3.282 4.001 ( -3.311 -0.000 -2.875) 4.385 4.741 ( 0.803 0.000 1.798) 1.969 5.011 ( -2.098 -0.000 7.913) 8.186 5.956 ( 4.265 0.000 -0.051) 4.266 6.190 ( 3.309 0.000 7.053) 7.791 7.234 ( -1.853 -0.000 1.459) 2.358 7.414 ( -0.944 -0.000 0.076) 0.947 7.598 ( 1.130 0.000 -0.886) 1.436 7.631 ( -0.078 -0.000 0.807) 0.811 7.845 ( 5.367 0.000 -4.455) 6.975 8.268 ( -1.907 -0.000 1.554) 2.460 8.746 ( 0.983 0.000 1.921) 2.158 9.109 ( -0.962 -0.000 -0.363) 1.029 10.462 ( -4.944 -0.000 -8.810) 10.103 10.653 ( -0.828 -0.000 -0.843) 1.182 11.623 ( -1.334 -0.000 -2.781) 3.084 11.707 ( -1.556 -0.000 -3.069) 3.441 11.969 ( -2.514 -0.000 1.991) 3.207 12.027 ( -2.547 -0.000 -1.590) 3.003 12.272 ( -0.907 -0.000 0.566) 1.069 12.794 ( -2.808 -0.000 0.207) 2.816 12.807 ( -1.249 -0.000 0.133) 1.256 13.007 ( 0.451 0.000 0.656) 0.797 13.060 ( 0.136 0.000 -0.446) 0.466 13.146 ( 0.446 0.000 -0.799) 0.915 13.218 ( 0.780 0.000 0.157) 0.796 13.784 ( 0.202 0.000 -0.081) 0.217 14.072 ( 2.473 0.000 1.173) 2.737 14.451 ( 0.383 0.000 1.315) 1.370 ======================= Grid point 134 (59/165) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 5.468 -3.964 13.744) 15.314 1.289 ( 6.808 -6.782 17.934) 20.346 1.686 ( 1.818 -8.140 8.082) 11.614 1.921 ( 3.796 1.106 6.883) 7.938 2.263 ( -0.060 -3.998 11.838) 12.495 2.320 ( 5.104 -7.950 8.967) 13.025 2.553 ( 1.885 -6.096 1.035) 6.464 2.595 ( -0.101 -1.004 1.256) 1.611 2.799 ( 7.052 3.264 1.049) 7.841 3.034 ( 5.771 -3.474 -3.412) 7.551 3.077 ( 8.172 -8.311 -1.936) 11.816 3.544 ( 5.457 0.348 -2.906) 6.192 3.860 ( 0.208 2.066 2.822) 3.503 3.949 ( -3.945 -0.384 -0.879) 4.060 4.746 ( -3.158 -0.096 2.938) 4.314 5.043 ( -3.821 -2.834 5.976) 7.638 5.937 ( -7.578 0.927 0.226) 7.638 6.271 ( 6.175 0.919 6.798) 9.230 7.186 ( -10.913 -3.138 1.144) 11.413 7.473 ( 8.132 -0.327 0.204) 8.141 7.611 ( 1.896 -0.640 -0.956) 2.217 7.660 ( 1.080 -2.259 0.711) 2.603 7.872 ( 5.099 -0.057 -3.809) 6.365 8.243 ( -1.774 1.731 1.214) 2.760 8.755 ( 0.995 1.525 1.974) 2.686 9.099 ( -0.072 0.106 -0.477) 0.494 10.299 ( -7.098 5.835 -9.344) 13.105 10.632 ( -1.058 1.065 -0.127) 1.507 11.557 ( -1.083 4.450 -3.056) 5.506 11.687 ( -1.654 -1.946 -2.465) 3.550 11.939 ( -1.226 2.799 0.210) 3.063 12.015 ( 0.273 -0.742 0.260) 0.833 12.255 ( -1.117 0.676 0.595) 1.435 12.744 ( -1.200 2.107 -0.389) 2.456 12.822 ( -1.792 -2.058 0.456) 2.767 13.010 ( 0.428 0.488 0.863) 1.080 13.057 ( -0.126 0.286 -1.003) 1.050 13.098 ( 0.227 3.609 -0.661) 3.676 13.290 ( 1.076 -5.191 0.498) 5.324 13.771 ( 0.171 1.717 -0.093) 1.728 14.110 ( 4.373 0.183 0.897) 4.468 14.439 ( -2.371 1.049 1.113) 2.822 ======================= Grid point 135 (60/165) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 1.886 -3.483 8.568) 9.439 1.509 ( 5.124 -2.755 9.808) 11.404 1.814 ( -3.883 -3.211 5.322) 7.329 2.059 ( 9.414 -6.491 6.173) 12.995 2.377 ( 1.071 -1.858 3.473) 4.081 2.512 ( -2.779 -4.257 0.763) 5.141 2.564 ( 0.266 -3.174 0.698) 3.261 2.733 ( 6.033 -2.914 3.208) 7.428 2.856 ( 3.528 -2.666 2.980) 5.332 3.173 ( 14.731 -3.564 -3.496) 15.554 3.312 ( 4.983 -11.935 -0.211) 12.935 3.577 ( 8.262 1.879 -3.986) 9.364 3.837 ( -0.895 0.774 0.997) 1.547 3.967 ( 3.500 -2.224 3.857) 5.663 4.706 ( -6.946 1.129 3.795) 7.995 5.085 ( -5.536 -4.020 2.932) 7.444 5.773 ( -17.771 3.913 0.364) 18.200 6.336 ( 5.738 2.293 5.321) 8.154 7.181 ( -6.868 -6.047 1.234) 9.234 7.529 ( 4.717 1.084 -0.843) 4.913 7.643 ( 1.228 -1.080 -0.189) 1.646 7.716 ( 2.167 -1.197 0.160) 2.481 7.930 ( 5.460 -3.604 -2.304) 6.936 8.192 ( -1.138 2.810 0.206) 3.038 8.733 ( -0.074 2.751 1.438) 3.105 9.102 ( 1.193 -0.165 -0.681) 1.384 10.070 ( -6.238 7.454 -6.606) 11.752 10.599 ( -1.250 1.381 0.090) 1.865 11.449 ( -1.932 4.472 -1.762) 5.180 11.713 ( 0.616 -2.886 -1.545) 3.331 11.874 ( -0.718 3.394 0.184) 3.474 12.027 ( 1.401 1.156 0.404) 1.861 12.251 ( -0.386 -0.867 0.559) 1.101 12.701 ( -0.206 1.752 -1.011) 2.033 12.845 ( -1.317 -2.089 0.812) 2.600 13.005 ( -0.223 1.405 0.500) 1.507 13.031 ( 0.689 1.379 -0.696) 1.691 13.059 ( 0.130 1.081 -0.335) 1.139 13.389 ( 0.451 -5.102 0.733) 5.174 13.731 ( -0.284 2.859 0.049) 2.873 14.156 ( 6.054 0.812 0.080) 6.108 14.384 ( -4.740 1.849 0.401) 5.104 ======================= Grid point 136 (61/165) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 0.128 -0.807 3.549) 3.641 1.596 ( 2.123 0.149 2.960) 3.645 1.854 ( -3.176 -3.828 5.390) 7.334 2.253 ( 4.282 1.432 2.654) 5.238 2.363 ( 4.090 2.293 1.816) 5.028 2.440 ( -7.715 1.748 -1.185) 7.999 2.689 ( 0.351 -6.031 -0.148) 6.043 2.804 ( 2.400 -0.829 -0.207) 2.548 2.924 ( 1.755 0.296 1.465) 2.305 3.314 ( 7.273 -0.279 -3.082) 7.904 3.521 ( 1.664 -7.731 -0.818) 7.951 3.609 ( 9.069 2.145 -2.881) 9.755 3.846 ( 3.296 -0.142 2.333) 4.041 4.165 ( 15.295 -7.521 3.599) 17.420 4.625 ( -7.610 1.830 2.622) 8.255 5.060 ( -12.135 -0.118 1.606) 12.241 5.514 ( -15.402 5.260 0.345) 16.279 6.358 ( 2.791 3.057 3.844) 5.649 7.245 ( -2.619 -5.287 1.123) 6.006 7.536 ( 2.727 1.160 -1.308) 3.240 7.647 ( 0.515 1.669 -0.264) 1.766 7.742 ( 0.345 -1.381 0.154) 1.432 8.011 ( 1.795 0.730 -2.532) 3.188 8.178 ( 1.625 -3.000 0.366) 3.431 8.684 ( -0.975 2.800 0.585) 3.022 9.116 ( 1.579 -0.180 -1.085) 1.924 9.909 ( -2.741 2.348 -2.268) 4.263 10.570 ( -0.869 0.809 0.243) 1.212 11.373 ( -1.635 1.530 -0.302) 2.259 11.772 ( 1.616 -3.250 -0.125) 3.632 11.827 ( -0.368 1.625 0.724) 1.816 12.010 ( 0.276 1.594 0.190) 1.629 12.272 ( 0.084 -1.151 0.027) 1.154 12.675 ( 0.737 0.801 -1.505) 1.857 12.868 ( -1.080 -1.433 0.792) 1.962 12.978 ( -0.202 0.800 0.372) 0.905 13.025 ( -0.305 0.458 0.078) 0.555 13.053 ( 1.591 0.253 0.238) 1.629 13.465 ( -0.212 -3.113 0.303) 3.134 13.682 ( -0.743 2.240 0.729) 2.470 14.199 ( 6.842 1.283 -0.951) 7.026 14.297 ( -5.908 2.088 -0.415) 6.280 ======================= Grid point 137 (62/165) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -1.247 2.645 1.575) 3.321 1.590 ( -0.377 2.212 -0.136) 2.248 1.930 ( -1.211 -2.648 2.619) 3.916 2.089 ( -4.550 9.881 -0.886) 10.914 2.308 ( -9.221 2.663 -0.911) 9.642 2.471 ( 7.811 -0.324 3.798) 8.692 2.723 ( -0.470 2.263 -1.012) 2.523 2.801 ( 0.556 2.978 -0.471) 3.066 2.905 ( 0.610 3.219 -0.426) 3.304 3.299 ( 3.007 4.159 -5.075) 7.218 3.533 ( 1.606 5.196 -2.105) 5.832 3.686 ( 1.566 -4.772 1.216) 5.167 3.894 ( 1.710 1.025 3.212) 3.780 4.420 ( 1.738 -0.867 3.887) 4.345 4.521 ( -5.407 2.089 -0.573) 5.825 4.927 ( -1.874 0.880 1.921) 2.824 5.381 ( -0.268 1.873 -0.136) 1.897 6.328 ( -1.100 3.785 3.093) 5.011 7.278 ( 0.346 1.265 0.870) 1.574 7.544 ( 1.074 -0.801 -1.157) 1.771 7.616 ( 0.183 1.438 -0.461) 1.521 7.779 ( -0.367 -2.328 0.707) 2.461 7.943 ( 0.375 4.186 -3.593) 5.529 8.244 ( -0.936 -1.144 0.686) 1.630 8.650 ( -0.427 0.106 0.232) 0.497 9.121 ( 0.859 0.184 -1.369) 1.627 9.941 ( 1.209 -7.446 0.171) 7.546 10.562 ( -0.239 -0.370 0.332) 0.552 11.370 ( -1.169 -2.698 0.513) 2.985 11.818 ( -1.110 -1.313 0.466) 1.782 11.845 ( 1.186 -2.455 1.301) 3.021 11.996 ( -0.505 -0.337 0.101) 0.616 12.279 ( -0.656 -0.061 -0.257) 0.707 12.673 ( 1.216 -0.430 -1.775) 2.195 12.880 ( -0.352 -0.714 0.464) 0.922 12.980 ( -0.819 -0.741 0.447) 1.191 13.013 ( -0.659 -0.017 0.173) 0.682 13.079 ( 2.038 -0.446 1.302) 2.459 13.474 ( -0.227 1.979 -0.204) 2.002 13.670 ( -1.607 -1.707 1.375) 2.718 14.187 ( -4.662 1.626 -2.324) 5.457 14.254 ( 6.123 1.289 -0.230) 6.261 ======================= Grid point 138 (63/165) ======================= q-point: (-0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -3.616 7.451 1.953) 8.509 1.502 ( -5.796 6.124 0.319) 8.438 1.778 ( -4.162 11.037 2.459) 12.049 2.046 ( -6.664 -2.908 1.286) 7.384 2.191 ( -2.604 2.433 -0.038) 3.564 2.532 ( 4.412 2.883 1.793) 5.567 2.591 ( 1.757 12.573 2.148) 12.876 2.729 ( -2.877 3.923 0.505) 4.891 2.827 ( -0.099 5.493 -2.023) 5.855 3.183 ( 6.548 12.088 -5.328) 14.744 3.458 ( -4.567 1.236 -0.255) 4.738 3.716 ( -4.181 1.818 0.803) 4.629 3.898 ( 1.541 0.603 3.078) 3.494 4.140 ( -23.429 7.814 1.673) 24.754 4.577 ( 6.870 -0.070 2.778) 7.410 5.024 ( 7.620 -0.430 0.450) 7.645 5.446 ( 16.560 -0.929 -0.058) 16.586 6.253 ( -4.143 3.764 3.249) 6.472 7.234 ( 3.101 5.647 0.936) 6.510 7.559 ( -0.570 -0.985 -0.992) 1.510 7.606 ( -0.084 -0.291 -0.313) 0.436 7.790 ( -0.999 0.963 -0.451) 1.459 7.874 ( 0.363 2.733 -2.519) 3.734 8.219 ( -2.599 0.234 0.611) 2.680 8.668 ( -0.235 -1.753 0.476) 1.831 9.118 ( 0.207 -0.224 -1.129) 1.169 10.139 ( 2.350 -12.899 -0.965) 13.147 10.581 ( 0.177 -1.731 0.221) 1.754 11.437 ( -0.940 -5.968 0.238) 6.046 11.822 ( -3.490 -0.970 0.274) 3.633 11.900 ( 0.485 -3.013 0.956) 3.198 12.020 ( -0.811 -2.885 0.260) 3.008 12.263 ( -1.351 0.632 0.219) 1.507 12.692 ( 1.070 -1.581 -1.608) 2.496 12.894 ( 0.041 -0.602 0.553) 0.818 12.977 ( -1.386 -0.547 -0.428) 1.551 13.027 ( -0.123 -1.494 0.743) 1.673 13.107 ( 0.668 -0.110 1.145) 1.330 13.412 ( -0.060 4.657 0.357) 4.671 13.705 ( -2.285 -3.523 0.727) 4.261 14.109 ( -3.724 1.084 -1.845) 4.295 14.303 ( 6.771 0.439 -0.326) 6.793 ======================= Grid point 139 (64/165) ======================= q-point: (-0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -5.207 11.181 9.054) 15.300 1.269 ( -14.169 10.862 7.564) 19.390 1.651 ( 0.736 6.070 4.148) 7.388 1.919 ( -10.701 8.460 5.239) 14.613 2.166 ( -0.062 4.123 6.952) 8.083 2.413 ( 0.570 7.672 1.088) 7.770 2.518 ( 3.459 5.698 1.848) 6.917 2.642 ( 0.098 4.666 2.287) 5.197 2.720 ( -0.589 4.830 -2.731) 5.580 3.000 ( 9.176 14.809 -2.887) 17.658 3.341 ( -13.789 2.857 -0.690) 14.098 3.608 ( -4.878 3.201 -0.818) 5.891 3.859 ( -6.907 1.336 1.687) 7.235 3.990 ( 0.908 -1.107 0.711) 1.598 4.659 ( 5.503 -0.198 3.522) 6.536 5.033 ( 1.761 3.730 2.028) 4.597 5.673 ( 21.744 -1.413 -0.307) 21.792 6.176 ( -4.607 2.318 4.349) 6.746 7.190 ( 6.251 5.068 0.972) 8.106 7.551 ( -3.138 -0.463 -0.694) 3.247 7.607 ( -0.623 0.055 0.026) 0.625 7.730 ( -3.788 3.088 0.319) 4.897 7.823 ( 2.927 2.386 -3.964) 5.475 8.229 ( -1.499 -2.743 0.852) 3.240 8.697 ( -0.520 -1.603 0.929) 1.924 9.120 ( -0.428 -0.571 -0.782) 1.059 10.354 ( 1.224 -11.289 -3.590) 11.909 10.620 ( -0.085 -2.737 -0.425) 2.771 11.536 ( -1.052 -6.792 -0.984) 6.943 11.786 ( -3.704 0.698 -0.249) 3.778 11.962 ( -1.142 -3.790 0.189) 3.963 12.054 ( -2.633 -2.497 0.107) 3.630 12.247 ( -0.910 -0.090 0.993) 1.349 12.728 ( 0.437 -2.576 -0.966) 2.786 12.896 ( -1.052 0.518 0.566) 1.302 12.978 ( -0.649 -0.900 0.309) 1.152 13.059 ( 0.214 -2.018 0.021) 2.030 13.102 ( -1.019 0.587 -0.358) 1.229 13.335 ( 0.324 4.872 0.748) 4.940 13.743 ( -1.879 -3.115 0.054) 3.638 14.064 ( -1.160 0.661 -0.686) 1.501 14.364 ( 5.402 -0.490 0.316) 5.433 ======================= Grid point 140 (65/165) ======================= q-point: (-0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -4.083 8.088 18.832) 20.898 1.031 ( -9.696 7.911 18.772) 22.560 1.533 ( -0.997 13.156 13.170) 18.642 1.777 ( -1.293 2.207 8.638) 9.008 2.140 ( -5.751 1.387 13.993) 15.192 2.264 ( -0.365 10.171 2.812) 10.559 2.512 ( 3.216 3.200 -1.076) 4.662 2.601 ( -0.148 1.556 2.510) 2.957 2.667 ( 4.614 -0.670 -2.284) 5.192 2.877 ( 11.200 10.346 -1.279) 15.301 3.147 ( -11.522 2.695 -2.243) 12.044 3.539 ( -0.798 0.826 -3.102) 3.308 3.839 ( -1.871 -1.337 2.449) 3.360 4.021 ( 0.338 -0.942 -1.573) 1.864 4.716 ( 3.038 0.372 2.584) 4.005 5.004 ( 0.478 2.882 5.762) 6.460 5.864 ( 14.602 -0.212 -0.385) 14.609 6.148 ( -1.478 0.585 6.012) 6.219 7.203 ( 8.077 2.732 1.096) 8.597 7.488 ( -9.036 0.552 0.049) 9.053 7.597 ( 0.127 0.229 -0.629) 0.681 7.654 ( -1.656 2.380 0.904) 3.037 7.819 ( 5.094 0.328 -4.827) 7.025 8.262 ( -1.637 -1.877 1.294) 2.807 8.723 ( -0.003 -1.079 1.439) 1.799 9.118 ( -0.981 -0.395 -0.488) 1.164 10.477 ( -1.119 -6.183 -5.969) 8.667 10.653 ( -0.902 -2.016 -1.497) 2.668 11.614 ( -1.897 -4.819 -2.323) 5.676 11.739 ( -1.606 1.023 -1.386) 2.355 11.986 ( -3.425 -1.349 0.524) 3.718 12.052 ( -3.223 -1.162 -0.629) 3.483 12.261 ( -0.422 -1.240 1.013) 1.656 12.770 ( -0.829 -2.931 -0.226) 3.054 12.860 ( -2.375 2.017 0.566) 3.167 12.993 ( 0.301 -0.678 0.538) 0.916 13.069 ( -0.292 0.805 -0.307) 0.910 13.107 ( -0.182 -3.056 -1.101) 3.253 13.265 ( 0.673 4.558 0.440) 4.629 13.771 ( -0.678 -1.765 -0.112) 1.894 14.054 ( 0.760 0.351 0.540) 0.996 14.421 ( 3.122 -0.702 0.995) 3.351 ======================= Grid point 142 (66/165) ======================= q-point: ( 0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 6.534 0.000 11.173) 12.943 1.357 ( 5.321 0.000 16.983) 17.797 1.683 ( 1.940 0.000 5.588) 5.915 1.976 ( -2.684 -0.000 9.090) 9.479 2.199 ( -0.892 -0.000 1.115) 1.428 2.480 ( 1.613 0.000 -2.510) 2.984 2.494 ( 5.838 0.000 13.991) 15.160 2.605 ( 4.803 0.000 6.335) 7.950 2.956 ( 10.006 0.000 1.728) 10.154 3.005 ( 5.170 0.000 -4.968) 7.170 3.133 ( 19.042 0.000 -1.738) 19.122 3.600 ( 8.156 0.000 -2.874) 8.648 3.878 ( -5.513 -0.000 -0.428) 5.530 3.921 ( 2.468 0.000 4.160) 4.837 4.714 ( -5.902 -0.000 1.431) 6.073 5.004 ( -5.936 -0.000 6.592) 8.871 5.829 ( -16.430 -0.000 0.059) 16.430 6.387 ( 7.748 0.000 6.216) 9.933 7.058 ( -9.587 -0.000 1.003) 9.639 7.548 ( 5.543 0.000 1.170) 5.665 7.619 ( 2.276 0.000 -2.007) 3.034 7.661 ( 3.493 0.000 0.192) 3.498 7.901 ( 4.608 0.000 -3.335) 5.688 8.245 ( -2.011 -0.000 1.191) 2.338 8.789 ( 0.606 0.000 1.810) 1.909 9.102 ( 0.921 0.000 -0.124) 0.929 10.219 ( -8.511 -0.000 -8.989) 12.379 10.625 ( -1.994 -0.000 -0.037) 1.994 11.598 ( -5.473 -0.000 -2.982) 6.232 11.606 ( 2.845 0.000 -2.791) 3.985 11.986 ( -0.445 -0.000 -0.694) 0.824 12.006 ( 3.645 0.000 2.630) 4.494 12.250 ( -1.605 -0.000 0.394) 1.653 12.756 ( -1.139 -0.000 0.215) 1.159 12.784 ( -1.185 -0.000 0.261) 1.213 13.019 ( -0.003 -0.000 0.588) 0.588 13.056 ( 0.036 0.000 -0.853) 0.854 13.140 ( -0.479 -0.000 -0.371) 0.606 13.247 ( 1.652 0.000 0.423) 1.706 13.782 ( -0.613 -0.000 -0.338) 0.700 14.171 ( 6.594 0.000 0.783) 6.641 14.421 ( -4.602 -0.000 1.234) 4.764 ======================= Grid point 143 (67/165) ======================= q-point: ( 0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 2.239 0.138 8.707) 8.991 1.553 ( 3.928 -4.431 10.823) 12.337 1.745 ( -1.281 -3.905 2.700) 4.917 2.015 ( -1.359 -4.347 7.807) 9.038 2.288 ( -1.614 -9.198 1.385) 9.441 2.474 ( -1.240 0.744 0.054) 1.447 2.518 ( -0.942 -2.210 -1.490) 2.827 2.788 ( 7.317 -1.857 8.810) 11.602 2.926 ( 4.556 4.415 -1.349) 6.486 3.152 ( 5.121 -7.777 -4.066) 10.161 3.379 ( 25.523 0.196 1.861) 25.591 3.663 ( 9.571 0.329 -3.932) 10.353 3.842 ( 0.060 0.224 1.747) 1.762 3.995 ( 5.702 -2.446 3.640) 7.193 4.646 ( -9.856 -0.230 1.442) 9.963 5.001 ( -4.822 -1.780 5.043) 7.200 5.628 ( -21.312 1.543 -0.180) 21.368 6.462 ( 5.425 2.489 4.442) 7.440 7.028 ( -5.947 -4.779 1.155) 7.716 7.578 ( 2.042 0.862 -0.048) 2.217 7.635 ( 1.712 -0.755 -1.608) 2.467 7.727 ( 4.617 -1.891 0.424) 5.007 7.926 ( 3.833 -0.595 -3.194) 5.025 8.217 ( -1.841 1.600 0.523) 2.495 8.780 ( -0.597 2.053 1.299) 2.502 9.116 ( 2.122 0.122 -0.063) 2.127 10.061 ( -7.670 3.820 -5.837) 10.368 10.597 ( -2.441 0.587 0.095) 2.512 11.487 ( -3.645 4.000 -1.677) 5.666 11.665 ( 2.947 -3.091 -1.595) 4.559 11.943 ( 0.613 3.821 0.494) 3.901 12.070 ( 3.898 0.362 1.641) 4.245 12.238 ( -0.900 -0.303 0.620) 1.134 12.725 ( -0.340 1.939 -0.228) 1.981 12.803 ( -0.787 -2.177 0.817) 2.455 13.015 ( -0.795 0.611 0.090) 1.007 13.047 ( 0.262 0.413 -0.673) 0.832 13.099 ( -0.085 2.754 0.182) 2.762 13.312 ( 0.600 -4.547 0.532) 4.617 13.759 ( -1.237 1.385 -0.301) 1.881 14.238 ( 7.810 0.796 -0.134) 7.852 14.363 ( -6.044 1.358 0.838) 6.251 ======================= Grid point 144 (68/165) ======================= q-point: ( 0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 1.281 -0.269 3.990) 4.199 1.635 ( 0.670 0.610 3.119) 3.248 1.802 ( -2.389 -2.865 5.600) 6.729 2.188 ( -1.702 -10.653 2.472) 11.068 2.363 ( -5.340 -0.102 -2.292) 5.812 2.441 ( 0.631 -0.918 1.560) 1.917 2.602 ( 2.297 -5.805 -1.477) 6.415 2.814 ( 1.555 1.574 -1.397) 2.617 2.954 ( 1.501 -0.394 3.285) 3.634 3.294 ( 1.626 -7.057 -3.822) 8.189 3.499 ( 6.242 2.986 1.380) 7.055 3.748 ( 11.517 2.180 -2.309) 11.946 3.879 ( 3.394 -0.151 2.433) 4.179 4.215 ( 17.721 -8.111 1.248) 19.529 4.554 ( -11.273 -0.461 1.042) 11.330 4.996 ( -3.848 1.216 3.790) 5.536 5.413 ( -14.998 0.510 0.128) 15.007 6.457 ( 0.845 3.870 2.729) 4.810 7.099 ( -3.767 -7.839 1.117) 8.768 7.572 ( 1.525 1.249 -1.279) 2.350 7.656 ( 0.931 -0.925 -0.961) 1.626 7.772 ( 2.849 1.568 0.525) 3.294 7.978 ( 1.721 -3.742 -3.282) 5.267 8.173 ( -0.869 1.387 0.124) 1.641 8.729 ( -1.405 3.279 0.665) 3.629 9.133 ( 2.397 0.430 -0.566) 2.500 9.912 ( -4.842 3.580 -1.513) 6.208 10.566 ( -2.152 0.432 0.306) 2.216 11.391 ( -2.617 3.105 -0.072) 4.061 11.744 ( 3.841 -2.861 -0.028) 4.789 11.887 ( 0.671 4.032 1.109) 4.236 12.067 ( 1.725 3.542 0.687) 4.000 12.258 ( 0.876 -1.179 0.593) 1.584 12.693 ( 0.456 1.504 -0.889) 1.806 12.839 ( -0.259 -1.938 1.105) 2.246 12.984 ( -1.435 1.085 -0.414) 1.846 13.040 ( -0.495 1.022 0.743) 1.356 13.075 ( 1.289 0.567 0.190) 1.420 13.393 ( -0.678 -4.637 0.375) 4.701 13.715 ( -1.278 2.224 0.202) 2.573 14.258 ( -3.450 2.422 -0.934) 4.317 14.306 ( 4.920 1.406 -0.230) 5.122 ======================= Grid point 145 (69/165) ======================= q-point: (-0.50 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 1.616 1.434 0.876) 2.332 1.614 ( -1.706 1.827 -0.089) 2.502 1.872 ( -0.162 -3.873 3.728) 5.378 2.176 ( -7.952 5.130 -2.141) 9.703 2.284 ( -3.754 3.538 -1.769) 5.453 2.504 ( 2.481 -3.795 1.833) 4.890 2.689 ( 1.132 -3.065 -1.581) 3.630 2.831 ( 1.139 -1.160 -1.015) 1.916 2.956 ( -0.591 1.674 1.125) 2.102 3.332 ( -0.336 0.079 -3.224) 3.242 3.538 ( 0.835 -2.674 -0.420) 2.832 3.753 ( 7.786 5.667 -1.271) 9.714 3.914 ( -1.660 -0.556 2.487) 3.041 4.365 ( -14.532 2.279 1.782) 14.817 4.537 ( 6.184 -3.450 0.496) 7.098 4.969 ( 5.223 0.372 1.565) 5.465 5.390 ( 5.358 -2.784 1.379) 6.194 6.388 ( -3.798 3.933 1.924) 5.796 7.203 ( -3.380 -7.493 0.980) 8.278 7.556 ( 1.022 1.275 -1.364) 2.128 7.662 ( 1.448 1.442 -0.820) 2.202 7.768 ( 2.000 0.755 0.407) 2.176 7.979 ( -1.011 1.882 -3.258) 3.896 8.192 ( -0.919 -3.262 0.492) 3.425 8.666 ( -1.147 2.437 0.416) 2.726 9.137 ( 1.694 1.019 -1.279) 2.354 9.859 ( -1.621 -1.799 0.749) 2.535 10.549 ( -1.430 -0.323 0.451) 1.533 11.341 ( -1.517 0.566 0.947) 1.876 11.811 ( 1.242 -0.056 0.239) 1.266 11.855 ( 2.272 0.591 1.871) 3.002 12.018 ( 0.266 3.130 0.205) 3.148 12.279 ( 0.690 0.114 0.137) 0.712 12.676 ( 1.020 0.611 -1.542) 1.947 12.869 ( 0.391 -0.999 0.520) 1.192 12.962 ( -1.338 -0.228 0.286) 1.387 13.015 ( -1.465 0.976 0.931) 1.991 13.095 ( 1.477 -0.468 0.803) 1.745 13.452 ( -1.090 -3.246 -0.149) 3.427 13.668 ( -1.381 2.049 1.140) 2.722 14.161 ( -5.079 2.235 -1.269) 5.693 14.341 ( 6.882 1.574 -1.312) 7.180 ======================= Grid point 146 (70/165) ======================= q-point: (-0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 1.740 5.273 0.670) 5.593 1.539 ( -4.375 4.042 -0.349) 5.967 1.906 ( -4.182 3.482 -1.195) 5.571 1.990 ( -2.395 5.320 2.877) 6.505 2.195 ( -2.104 0.633 0.537) 2.261 2.580 ( 0.760 -2.156 0.193) 2.294 2.704 ( -0.378 1.162 -0.777) 1.448 2.798 ( 1.253 5.997 -0.511) 6.148 2.913 ( -0.438 3.513 0.635) 3.597 3.313 ( 3.022 1.292 -3.094) 4.514 3.510 ( -1.481 5.234 -2.332) 5.918 3.730 ( 1.053 3.760 0.069) 3.906 3.899 ( -4.573 -1.555 1.282) 4.997 4.089 ( -16.404 9.421 3.032) 19.159 4.629 ( 2.716 -2.066 3.451) 4.854 5.068 ( 5.212 -2.089 0.080) 5.615 5.589 ( 20.191 -3.361 1.295) 20.510 6.283 ( -6.876 3.420 2.294) 8.015 7.276 ( -1.743 -3.548 1.004) 4.078 7.537 ( -0.169 0.707 -1.313) 1.501 7.635 ( 1.794 2.613 -0.469) 3.204 7.792 ( 0.778 -0.248 0.542) 0.980 7.912 ( 0.436 2.748 -2.568) 3.786 8.200 ( -3.405 0.282 0.499) 3.453 8.648 ( -0.235 -0.613 0.635) 0.913 9.123 ( 0.884 1.003 -1.438) 1.964 9.946 ( -0.420 -9.190 -0.698) 9.226 10.555 ( -0.679 -1.313 0.384) 1.527 11.354 ( -0.797 -2.801 0.840) 3.031 11.794 ( -1.402 0.732 0.432) 1.639 11.894 ( 1.650 -0.195 0.718) 1.810 11.990 ( -0.065 0.071 0.164) 0.190 12.271 ( 0.038 1.102 0.254) 1.132 12.676 ( 1.087 -0.451 -1.930) 2.260 12.888 ( 0.419 -0.586 0.371) 0.810 12.960 ( -0.433 -0.178 -0.142) 0.489 13.001 ( -2.014 -0.861 1.226) 2.510 13.114 ( 0.086 -0.127 0.730) 0.745 13.467 ( -0.110 0.911 -0.043) 0.919 13.645 ( -1.995 -0.822 1.413) 2.579 14.089 ( -2.456 1.065 -1.317) 2.983 14.371 ( 5.302 0.998 -1.257) 5.539 ======================= Grid point 147 (71/165) ======================= q-point: (-0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 1.560 9.064 5.563) 10.749 1.376 ( -6.828 9.548 4.079) 12.427 1.779 ( 1.033 5.758 3.580) 6.858 1.931 ( -5.731 2.498 5.374) 8.244 2.243 ( 4.223 -2.580 0.818) 5.016 2.578 ( 1.459 6.066 0.556) 6.264 2.627 ( -2.632 3.825 0.888) 4.727 2.698 ( 1.501 7.132 1.457) 7.433 2.840 ( 1.734 5.878 0.253) 6.133 3.286 ( 4.035 5.938 -2.422) 7.577 3.337 ( -2.050 10.397 -3.296) 11.098 3.616 ( -6.213 5.094 1.097) 8.109 3.835 ( -6.724 2.414 2.751) 7.656 3.959 ( -0.215 -1.498 -0.151) 1.521 4.703 ( 0.911 -1.731 4.652) 5.046 5.113 ( 3.018 1.762 1.679) 3.877 5.829 ( 15.845 -2.151 0.593) 16.001 6.189 ( -5.588 1.672 3.799) 6.961 7.306 ( 2.381 0.564 1.162) 2.709 7.505 ( -3.151 0.849 -1.384) 3.545 7.618 ( 1.274 1.164 0.138) 1.732 7.759 ( -1.528 3.197 0.081) 3.544 7.878 ( 2.748 2.762 -1.725) 4.261 8.175 ( -1.878 -1.639 0.134) 2.496 8.672 ( -0.193 -1.608 1.218) 2.026 9.110 ( 0.265 0.316 -1.246) 1.312 10.115 ( -1.760 -12.710 -4.039) 13.452 10.581 ( -0.237 -2.035 0.131) 2.053 11.419 ( -0.646 -5.294 -0.351) 5.345 11.766 ( -2.157 0.818 0.141) 2.312 11.908 ( -0.682 -1.533 -0.768) 1.845 12.003 ( -0.650 -1.263 0.038) 1.421 12.255 ( -0.045 1.009 0.823) 1.303 12.691 ( 0.682 -1.542 -1.756) 2.434 12.895 ( -0.683 0.256 0.592) 0.940 12.964 ( 0.099 -0.595 0.624) 0.868 13.015 ( -1.276 -2.241 -0.285) 2.594 13.103 ( -1.308 0.777 -0.313) 1.554 13.425 ( 0.707 4.227 0.973) 4.395 13.673 ( -1.101 -3.337 0.672) 3.578 14.064 ( 0.201 0.190 -0.629) 0.687 14.399 ( 2.955 -0.146 -0.526) 3.005 ======================= Grid point 148 (72/165) ======================= q-point: (-0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -3.032 9.829 11.342) 15.312 1.242 ( 5.627 7.742 15.171) 17.938 1.765 ( 4.271 5.405 7.059) 9.863 1.861 ( -1.738 3.198 5.894) 6.927 2.281 ( 1.678 6.421 9.312) 11.435 2.445 ( 1.943 9.434 2.417) 9.931 2.586 ( 1.218 2.288 1.187) 2.851 2.621 ( 0.165 2.701 0.598) 2.771 2.767 ( 3.732 5.880 1.081) 7.048 3.123 ( -4.452 5.929 -3.590) 8.238 3.186 ( 9.572 13.447 -0.570) 16.516 3.530 ( -0.572 0.506 -2.286) 2.410 3.815 ( -0.750 -1.135 3.307) 3.575 3.976 ( -2.119 -1.614 -1.646) 3.131 4.745 ( -1.554 -0.671 4.637) 4.936 5.094 ( 0.544 4.029 3.759) 5.537 5.945 ( 2.671 -1.005 0.208) 2.861 6.184 ( 1.489 -0.326 5.840) 6.036 7.308 ( -1.443 2.731 1.639) 3.496 7.440 ( -0.532 1.585 -1.154) 2.032 7.613 ( 1.326 1.090 0.094) 1.719 7.696 ( -0.437 2.900 0.610) 2.996 7.857 ( 4.669 1.852 -3.404) 6.067 8.210 ( -1.232 -3.141 0.629) 3.432 8.709 ( 0.306 -1.837 1.770) 2.569 9.103 ( -0.191 -0.077 -0.902) 0.926 10.258 ( -4.379 -10.962 -7.297) 13.878 10.613 ( -0.354 -1.961 -0.114) 1.996 11.499 ( -1.087 -5.659 -2.006) 6.101 11.731 ( -1.347 1.108 -0.723) 1.888 11.922 ( -2.651 -2.531 -1.265) 3.878 12.014 ( -0.633 -0.835 0.064) 1.050 12.250 ( -0.283 0.014 1.003) 1.042 12.718 ( -0.219 -2.227 -1.098) 2.492 12.869 ( -1.902 1.554 0.596) 2.527 12.986 ( 0.496 -1.009 1.053) 1.540 13.045 ( -0.510 -2.905 -1.550) 3.332 13.074 ( -0.885 0.592 -0.565) 1.205 13.362 ( 1.149 5.068 1.033) 5.299 13.727 ( 0.061 -3.132 0.247) 3.142 14.074 ( 2.191 -0.042 0.240) 2.205 14.426 ( 0.262 -1.094 0.439) 1.208 ======================= Grid point 151 (73/165) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.330 0.000 6.405) 6.414 1.584 ( 1.784 0.000 10.856) 11.001 1.708 ( -1.950 -0.000 0.278) 1.970 2.023 ( -2.504 -0.000 9.960) 10.270 2.167 ( -1.864 -0.000 -1.628) 2.474 2.444 ( -5.253 -0.000 -1.229) 5.395 2.486 ( 1.478 0.000 -1.955) 2.451 2.882 ( 3.795 0.000 6.832) 7.816 2.993 ( 2.310 0.000 -9.164) 9.451 3.096 ( 3.779 0.000 -0.645) 3.833 3.634 ( 13.222 0.000 5.956) 14.501 3.714 ( 6.236 0.000 -4.303) 7.577 3.927 ( 18.941 0.000 -0.818) 18.959 4.034 ( 5.021 0.000 2.210) 5.486 4.532 ( -13.209 -0.000 -0.043) 13.209 5.005 ( 2.877 0.000 5.920) 6.582 5.423 ( -21.777 -0.000 -0.866) 21.794 6.543 ( 1.626 0.000 2.317) 2.831 6.940 ( -4.472 -0.000 1.215) 4.634 7.595 ( -0.007 -0.000 0.799) 0.799 7.636 ( 2.512 0.000 -3.505) 4.312 7.754 ( 4.048 0.000 0.379) 4.066 7.935 ( 2.268 0.000 -3.777) 4.405 8.215 ( -1.905 -0.000 0.401) 1.947 8.794 ( -1.451 -0.000 0.959) 1.739 9.143 ( 2.844 0.000 0.122) 2.847 9.997 ( -6.859 -0.000 -2.380) 7.260 10.576 ( -2.786 -0.000 0.275) 2.800 11.474 ( -4.549 -0.000 -0.392) 4.566 11.679 ( 6.082 0.000 -0.124) 6.083 11.985 ( 0.197 0.000 0.625) 0.656 12.137 ( 6.141 0.000 2.458) 6.615 12.229 ( -1.014 -0.000 0.766) 1.271 12.754 ( 0.283 0.000 0.709) 0.764 12.770 ( -0.615 -0.000 0.462) 0.769 13.015 ( -1.009 -0.000 0.217) 1.032 13.044 ( -0.127 -0.000 -1.037) 1.045 13.118 ( -1.846 -0.000 0.525) 1.920 13.283 ( 1.324 0.000 0.561) 1.438 13.753 ( -1.750 -0.000 -0.208) 1.762 14.317 ( -6.690 -0.000 0.596) 6.716 14.323 ( 8.325 0.000 -0.944) 8.379 ======================= Grid point 152 (74/165) ======================= q-point: ( 0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.512 0.368 3.632) 3.686 1.651 ( -1.699 0.148 2.086) 2.694 1.741 ( -2.631 -6.465 5.204) 8.706 2.043 ( -1.696 -2.844 3.341) 4.704 2.244 ( -3.210 -7.449 -0.367) 8.120 2.398 ( -2.916 -2.011 -0.155) 3.546 2.529 ( 1.827 -4.168 -1.866) 4.919 2.865 ( 0.033 4.530 -4.634) 6.481 2.965 ( -0.032 -0.417 -1.290) 1.356 3.165 ( -0.329 -5.687 -3.343) 6.606 3.638 ( 2.050 5.805 2.831) 6.776 3.795 ( 1.593 -3.130 0.922) 3.631 4.006 ( 9.578 5.889 -0.863) 11.277 4.236 ( 13.931 -7.111 -1.426) 15.706 4.418 ( -11.089 -2.416 -0.641) 11.367 5.078 ( 4.943 4.174 3.523) 7.367 5.265 ( -6.953 -4.059 0.352) 8.059 6.508 ( -4.800 2.786 0.336) 5.560 6.956 ( -3.500 -5.162 1.118) 6.336 7.592 ( 0.315 0.576 -0.350) 0.744 7.645 ( 1.958 -0.578 -2.813) 3.476 7.805 ( 2.537 -1.342 0.504) 2.914 7.927 ( 0.373 -0.648 -4.922) 4.978 8.189 ( -1.323 1.312 0.582) 1.952 8.764 ( -1.788 2.130 0.541) 2.834 9.165 ( 2.662 0.572 -0.433) 2.756 9.918 ( -4.209 2.426 1.779) 5.173 10.552 ( -2.176 0.252 0.691) 2.297 11.418 ( -2.420 2.461 1.344) 3.704 11.758 ( 5.826 -1.529 1.535) 6.216 11.964 ( 0.465 3.186 1.496) 3.550 12.159 ( 2.487 4.025 1.232) 4.889 12.255 ( 1.971 -1.661 1.263) 2.871 12.726 ( 0.493 2.213 0.028) 2.267 12.809 ( 0.291 -2.473 1.207) 2.767 12.987 ( -1.620 1.362 -0.352) 2.146 13.043 ( -0.839 -0.221 0.184) 0.887 13.094 ( -0.588 0.754 0.540) 1.098 13.323 ( -0.088 -3.009 0.375) 3.033 13.729 ( -1.432 0.943 0.291) 1.739 14.239 ( -6.147 1.748 -0.150) 6.392 14.385 ( 7.237 0.788 -1.878) 7.518 ======================= Grid point 153 (75/165) ======================= q-point: ( 0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 1.881 0.009 0.493) 1.944 1.613 ( -3.346 1.222 -0.419) 3.587 1.842 ( -0.185 -3.809 4.312) 5.756 2.096 ( -4.654 -3.576 -2.376) 6.332 2.258 ( -3.442 -1.913 -1.560) 4.236 2.461 ( -1.104 -3.046 0.698) 3.314 2.626 ( 2.085 -5.865 -1.527) 6.409 2.795 ( -0.104 -1.095 -3.546) 3.713 2.948 ( -2.977 -0.305 -1.795) 3.490 3.228 ( -3.075 -6.218 -3.958) 7.986 3.579 ( 1.940 4.006 0.766) 4.516 3.831 ( -3.659 -1.535 1.379) 4.201 3.957 ( 4.183 6.720 -2.665) 8.352 4.274 ( -9.802 0.339 1.597) 9.937 4.505 ( 4.741 -5.696 -1.005) 7.479 5.002 ( -3.181 0.414 0.250) 3.218 5.456 ( 19.896 -4.535 1.853) 20.490 6.383 ( -10.362 2.688 -0.518) 10.718 7.036 ( -3.717 -7.705 0.943) 8.607 7.579 ( 0.712 1.150 -1.091) 1.738 7.663 ( 1.550 -1.064 -1.958) 2.715 7.820 ( 1.704 1.797 -1.368) 2.829 7.936 ( -1.152 -3.151 -3.025) 4.517 8.165 ( -0.534 0.529 0.988) 1.242 8.705 ( -1.314 3.050 0.330) 3.338 9.168 ( 1.813 1.241 -1.226) 2.516 9.864 ( -1.263 2.419 3.787) 4.668 10.536 ( -1.274 0.124 0.980) 1.612 11.369 ( -0.618 2.704 2.493) 3.730 11.837 ( 3.730 -0.316 1.879) 4.188 11.919 ( 0.888 3.394 2.362) 4.229 12.099 ( 1.047 5.163 0.664) 5.309 12.295 ( 1.616 -0.072 0.675) 1.753 12.698 ( 0.978 1.709 -0.826) 2.135 12.858 ( 0.964 -1.719 0.919) 2.175 12.952 ( -1.553 0.564 0.243) 1.670 13.022 ( -2.076 1.167 1.106) 2.626 13.100 ( 0.675 -0.584 0.337) 0.954 13.376 ( -1.136 -3.867 0.063) 4.031 13.699 ( -0.769 1.810 1.085) 2.246 14.148 ( -4.440 2.283 -0.933) 5.079 14.416 ( 5.268 1.347 -2.490) 5.980 ======================= Grid point 154 (76/165) ======================= q-point: (-0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 3.245 1.179 -0.782) 3.540 1.546 ( -4.170 2.171 -0.599) 4.740 1.895 ( -0.007 0.241 0.441) 0.503 2.063 ( -0.589 0.361 -0.882) 1.120 2.201 ( -3.545 3.714 -0.280) 5.142 2.499 ( -1.755 -4.648 -1.290) 5.133 2.711 ( 1.580 -2.126 -0.494) 2.694 2.836 ( 0.762 -2.122 -0.593) 2.332 2.913 ( -3.368 -0.959 -2.453) 4.275 3.277 ( -1.498 -4.974 -2.698) 5.854 3.547 ( 1.800 3.356 -2.367) 4.484 3.786 ( -9.455 -0.822 1.196) 9.566 3.858 ( 1.996 6.130 -3.690) 7.428 4.147 ( -5.668 6.759 3.781) 9.597 4.595 ( -0.481 -3.959 1.342) 4.207 5.055 ( 3.092 -4.627 0.817) 5.624 5.726 ( 17.016 -3.845 0.587) 17.455 6.237 ( -11.531 1.108 0.228) 11.587 7.141 ( -3.113 -8.144 0.800) 8.755 7.556 ( 0.604 1.611 -1.295) 2.153 7.676 ( 0.998 0.573 -1.456) 1.856 7.804 ( 1.512 0.105 -1.674) 2.258 7.939 ( 0.022 0.853 -1.087) 1.382 8.171 ( -1.173 -0.850 1.094) 1.815 8.656 ( -0.292 1.630 0.361) 1.695 9.149 ( 1.026 1.641 -1.569) 2.491 9.862 ( 0.225 -0.833 2.438) 2.586 10.535 ( -0.573 -0.496 0.833) 1.126 11.347 ( 0.263 1.216 2.456) 2.753 11.828 ( 0.258 3.279 1.174) 3.492 11.919 ( 0.866 0.882 1.998) 2.350 12.032 ( 1.027 3.904 0.482) 4.066 12.298 ( 0.669 1.121 0.365) 1.355 12.679 ( 1.065 0.905 -1.694) 2.196 12.889 ( 1.117 -0.485 0.150) 1.227 12.949 ( -0.711 -1.036 0.876) 1.532 12.988 ( -1.926 1.208 1.330) 2.634 13.112 ( -0.521 -0.250 0.169) 0.603 13.431 ( -0.707 -3.744 -0.166) 3.813 13.664 ( -0.512 2.528 1.826) 3.160 14.082 ( -1.466 1.219 -1.170) 2.237 14.419 ( 2.674 1.155 -2.473) 3.821 ======================= Grid point 155 (77/165) ======================= q-point: (-0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -1.809 4.670 0.536) 5.036 1.479 ( 2.172 3.834 1.808) 4.763 1.864 ( 0.674 2.729 3.058) 4.154 2.023 ( 1.451 6.207 3.273) 7.166 2.197 ( 1.070 -5.218 0.150) 5.328 2.545 ( -1.995 -3.373 -0.969) 4.037 2.718 ( 1.282 2.468 0.357) 2.804 2.832 ( 1.234 4.084 0.630) 4.313 2.893 ( -0.608 -0.349 -2.067) 2.183 3.328 ( -0.286 -0.573 -2.004) 2.104 3.430 ( 0.878 5.533 -5.700) 7.993 3.713 ( -2.731 7.377 0.617) 7.890 3.781 ( -2.885 -2.340 -0.436) 3.741 4.023 ( 0.792 7.101 3.938) 8.159 4.661 ( -2.658 -4.199 3.000) 5.805 5.159 ( 3.746 -1.684 1.593) 4.405 5.864 ( -3.461 -3.948 0.120) 5.251 6.171 ( -0.492 -0.406 2.425) 2.507 7.248 ( -1.309 -6.378 0.718) 6.551 7.522 ( 0.463 2.353 -1.476) 2.816 7.653 ( 0.400 1.491 -0.864) 1.769 7.799 ( -0.369 2.099 -0.085) 2.132 7.932 ( 3.139 0.207 -0.974) 3.293 8.161 ( -0.300 1.454 0.788) 1.680 8.653 ( -0.027 -0.940 0.676) 1.158 9.123 ( 0.719 1.343 -1.509) 2.144 9.920 ( -0.717 -5.795 -1.112) 5.944 10.550 ( -0.171 -1.362 0.444) 1.443 11.361 ( 0.126 -1.332 1.234) 1.820 11.785 ( -0.096 2.450 0.838) 2.591 11.893 ( -1.760 1.642 -0.079) 2.408 12.005 ( 0.689 1.136 0.484) 1.414 12.283 ( 0.493 1.409 0.472) 1.566 12.673 ( 0.829 -0.242 -2.026) 2.203 12.902 ( 0.521 0.278 0.553) 0.809 12.961 ( -2.354 -0.735 1.108) 2.703 12.975 ( 1.245 -0.470 0.336) 1.373 13.096 ( -1.682 0.495 -0.667) 1.875 13.471 ( 0.287 -0.682 0.130) 0.752 13.641 ( -0.101 0.267 1.868) 1.890 14.068 ( 1.425 -0.061 -0.771) 1.621 14.408 ( -0.126 0.190 -1.769) 1.784 ======================= Grid point 156 (78/165) ======================= q-point: (-0.12 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -1.679 5.468 5.815) 8.157 1.467 ( 5.859 4.516 6.266) 9.694 1.857 ( -2.297 1.723 6.396) 7.011 1.997 ( 9.322 4.828 5.937) 12.061 2.317 ( 2.323 -5.507 0.389) 5.990 2.560 ( -3.112 -1.522 0.068) 3.465 2.657 ( 2.255 8.119 1.629) 8.583 2.754 ( 2.174 6.039 1.672) 6.633 2.878 ( 1.989 2.638 0.001) 3.304 3.203 ( 2.270 7.494 -3.906) 8.750 3.448 ( 9.330 3.346 -4.166) 10.752 3.540 ( -1.977 6.919 0.564) 7.218 3.814 ( -0.227 -1.931 0.916) 2.149 3.969 ( 1.828 3.551 3.108) 5.061 4.706 ( -4.791 -2.971 4.286) 7.082 5.172 ( -0.881 3.000 1.806) 3.611 5.844 ( -14.090 -5.246 0.628) 15.048 6.232 ( 4.807 -0.983 4.304) 6.526 7.297 ( -3.918 0.166 1.257) 4.118 7.487 ( 3.170 1.348 -1.545) 3.776 7.642 ( 0.679 0.191 -0.092) 0.711 7.742 ( -0.272 3.039 -0.117) 3.053 7.949 ( 5.362 3.228 -0.746) 6.303 8.156 ( 0.058 -1.374 -0.170) 1.385 8.685 ( -0.123 -2.165 1.217) 2.487 9.105 ( 0.740 0.682 -1.225) 1.585 10.010 ( -3.413 -8.588 -4.682) 10.360 10.578 ( -0.295 -1.788 0.170) 1.820 11.401 ( -0.842 -3.507 -0.524) 3.645 11.752 ( 0.570 2.171 -0.051) 2.245 11.858 ( -2.643 -0.794 -0.656) 2.837 12.004 ( 0.320 -0.368 0.049) 0.490 12.267 ( 0.229 1.311 0.556) 1.442 12.682 ( 0.363 -1.278 -1.673) 2.137 12.885 ( -1.195 1.614 0.847) 2.179 12.974 ( -0.386 -1.716 0.683) 1.886 13.002 ( 1.285 -1.091 -0.189) 1.696 13.066 ( -1.366 0.374 -1.028) 1.750 13.452 ( 0.771 3.493 0.878) 3.683 13.677 ( 0.194 -2.979 0.815) 3.095 14.097 ( 3.742 -0.583 -0.245) 3.795 14.395 ( -2.706 -1.108 -0.629) 2.991 ======================= Grid point 160 (79/165) ======================= q-point: ( 0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.349 0.000 2.065) 2.095 1.634 ( -5.922 -0.000 5.824) 8.306 1.644 ( -3.875 -0.000 -0.595) 3.920 2.087 ( -0.145 -0.000 6.276) 6.278 2.114 ( -0.207 -0.000 -3.373) 3.379 2.344 ( -3.646 -0.000 -0.518) 3.683 2.492 ( 1.171 0.000 -1.832) 2.174 2.885 ( -4.791 -0.000 -1.551) 5.036 2.909 ( 1.556 0.000 -13.801) 13.888 3.086 ( -3.422 -0.000 -1.369) 3.686 3.734 ( 1.064 0.000 -4.002) 4.141 3.736 ( -5.373 -0.000 8.123) 9.739 4.127 ( 3.359 0.000 -3.638) 4.952 4.274 ( -9.951 -0.000 0.178) 9.953 4.311 ( 15.280 0.000 -1.260) 15.331 5.050 ( -14.197 -0.000 -2.103) 14.352 5.352 ( 24.469 0.000 2.917) 24.643 6.441 ( -12.855 -0.000 -1.862) 12.989 6.890 ( -2.342 -0.000 1.163) 2.615 7.595 ( -0.503 -0.000 0.350) 0.613 7.646 ( 2.944 0.000 -4.146) 5.085 7.809 ( 1.356 0.000 0.434) 1.424 7.892 ( -0.838 -0.000 -6.439) 6.494 8.195 ( -0.701 -0.000 1.387) 1.554 8.767 ( -1.703 -0.000 0.278) 1.726 9.191 ( 2.039 0.000 -0.948) 2.249 9.930 ( -1.536 -0.000 5.167) 5.391 10.544 ( -1.039 -0.000 1.496) 1.822 11.435 ( -0.835 -0.000 2.986) 3.101 11.818 ( 5.782 0.000 3.450) 6.733 12.005 ( 0.342 0.000 2.036) 2.065 12.232 ( 0.072 0.000 1.456) 1.458 12.261 ( 3.717 0.000 1.391) 3.968 12.771 ( 0.137 0.000 0.524) 0.542 12.782 ( 1.520 0.000 1.420) 2.080 12.984 ( -2.034 -0.000 -0.304) 2.056 13.029 ( -0.972 -0.000 0.194) 0.991 13.093 ( -0.979 -0.000 0.822) 1.278 13.301 ( -0.023 -0.000 0.131) 0.133 13.727 ( -0.922 -0.000 0.782) 1.209 14.197 ( -5.235 -0.000 -0.530) 5.262 14.441 ( 5.323 0.000 -2.944) 6.083 ======================= Grid point 161 (80/165) ======================= q-point: (-0.50 -0.62 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 0.964 -0.068 0.135) 0.976 1.589 ( -4.219 0.663 -0.388) 4.289 1.701 ( -6.345 -10.546 2.443) 12.548 2.051 ( 1.138 1.540 -0.121) 1.919 2.183 ( -1.424 -3.023 -0.913) 3.464 2.362 ( -2.763 -5.926 1.493) 6.707 2.538 ( 1.273 -4.904 -2.197) 5.523 2.770 ( -1.790 2.461 -7.987) 8.547 2.869 ( -4.534 -1.614 -7.635) 9.025 3.075 ( -4.235 -4.801 -3.977) 7.537 3.659 ( -1.545 3.675 1.943) 4.434 3.758 ( -4.917 -1.890 1.428) 5.458 4.059 ( -1.640 4.472 -5.999) 7.660 4.224 ( -1.301 0.051 1.453) 1.951 4.474 ( 7.585 -3.609 0.120) 8.401 4.934 ( -6.560 -1.319 -1.562) 6.871 5.603 ( 17.701 -2.598 0.248) 17.892 6.271 ( -15.344 0.856 -2.500) 15.570 6.913 ( -1.792 -4.183 1.011) 4.662 7.590 ( -0.234 0.216 -0.126) 0.342 7.655 ( 2.635 -0.378 -3.538) 4.428 7.828 ( -0.124 0.125 -3.225) 3.230 7.859 ( -0.480 -2.555 -2.962) 3.941 8.190 ( 0.135 1.263 1.885) 2.273 8.737 ( -0.929 1.890 0.046) 2.106 9.192 ( 0.985 0.789 -1.496) 1.957 9.940 ( 1.551 2.608 6.416) 7.098 10.545 ( 0.078 0.640 2.090) 2.187 11.433 ( 0.828 2.383 4.030) 4.754 11.890 ( 3.950 0.060 4.167) 5.742 11.994 ( 0.299 2.910 2.649) 3.946 12.198 ( 0.805 4.412 1.419) 4.704 12.305 ( 0.672 -0.836 0.861) 1.375 12.743 ( 1.070 2.560 0.132) 2.778 12.840 ( 1.341 -2.359 1.425) 3.065 12.951 ( -1.634 0.895 -0.155) 1.869 13.022 ( -1.530 0.233 1.222) 1.972 13.096 ( 0.189 -0.367 0.417) 0.586 13.315 ( -0.787 -2.124 -0.055) 2.266 13.722 ( -0.044 0.706 1.387) 1.557 14.137 ( -3.249 1.420 -1.100) 3.712 14.455 ( 2.457 0.700 -3.590) 4.406 ======================= Grid point 162 (81/165) ======================= q-point: (-0.38 -0.62 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -0.146 -0.928 -0.963) 1.346 1.531 ( -2.976 1.145 -0.982) 3.336 1.843 ( -2.155 -9.273 -0.140) 9.521 2.041 ( 0.225 0.739 -0.011) 0.773 2.202 ( 0.047 -1.035 -1.210) 1.592 2.413 ( -2.246 -2.959 -2.148) 4.291 2.634 ( -0.427 -6.751 -1.381) 6.904 2.764 ( 0.962 -5.441 -2.647) 6.127 2.802 ( -7.403 -2.513 -6.083) 9.905 3.122 ( -2.329 -7.646 -5.208) 9.540 3.619 ( 1.048 1.710 0.438) 2.053 3.717 ( -5.264 2.215 2.202) 6.121 3.926 ( -2.209 4.583 -5.607) 7.571 4.216 ( 0.719 2.260 1.526) 2.820 4.549 ( 1.256 -1.212 0.142) 1.751 4.987 ( 2.546 -6.786 0.228) 7.252 5.710 ( -10.035 -4.599 -1.122) 11.096 6.163 ( -0.393 0.056 -1.210) 1.273 6.998 ( -0.657 -6.830 0.762) 6.903 7.578 ( 0.263 1.003 -0.791) 1.304 7.670 ( 1.185 -0.710 -2.310) 2.692 7.793 ( 0.232 -0.158 -4.723) 4.732 7.911 ( -0.319 -3.272 -0.313) 3.302 8.182 ( 0.834 1.180 1.881) 2.372 8.694 ( 0.104 2.581 -0.026) 2.583 9.171 ( 0.233 1.265 -1.652) 2.094 9.940 ( 3.715 4.332 5.498) 7.924 10.544 ( 0.500 0.973 1.787) 2.096 11.416 ( 1.535 3.516 3.961) 5.514 11.907 ( 1.100 3.727 2.732) 4.750 11.964 ( -0.023 2.233 3.278) 3.966 12.126 ( 0.498 5.505 1.044) 5.625 12.312 ( -0.633 0.043 0.455) 0.781 12.710 ( 1.123 2.338 -0.957) 2.764 12.888 ( 0.897 -1.182 0.422) 1.543 12.937 ( -0.424 -0.122 1.250) 1.326 13.007 ( -0.461 1.097 1.557) 1.960 13.101 ( -0.627 -0.083 -0.155) 0.651 13.357 ( -0.736 -3.782 -0.054) 3.853 13.713 ( 0.469 1.897 1.876) 2.708 14.088 ( -0.256 1.264 -1.274) 1.813 14.430 ( -0.630 0.860 -3.627) 3.780 ======================= Grid point 163 (82/165) ======================= q-point: (-0.25 -0.62 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -5.089 0.957 0.092) 5.179 1.528 ( 2.681 -0.754 -1.017) 2.966 1.939 ( 3.230 -1.133 0.085) 3.424 2.039 ( -3.758 -2.635 1.880) 4.960 2.199 ( 4.834 2.174 -0.088) 5.301 2.456 ( -1.313 -4.617 -0.762) 4.860 2.710 ( -2.446 -3.483 0.704) 4.314 2.771 ( -4.829 -6.005 -6.193) 9.886 2.861 ( 1.722 -3.508 -0.459) 3.935 3.220 ( 0.043 -8.281 -5.343) 9.855 3.552 ( -0.388 7.100 -2.489) 7.533 3.679 ( 1.160 -0.909 2.145) 2.602 3.823 ( -1.414 3.416 -2.126) 4.265 4.181 ( 3.925 5.531 2.509) 7.231 4.582 ( -1.072 -2.756 0.821) 3.069 5.137 ( 2.696 -5.542 0.690) 6.202 5.610 ( -25.260 -7.651 -0.245) 26.395 6.209 ( 5.690 -0.482 0.690) 5.752 7.128 ( 1.091 -7.740 0.410) 7.828 7.555 ( 0.782 1.657 -1.178) 2.179 7.661 ( -0.826 0.701 -1.500) 1.851 7.801 ( 1.075 -1.439 -2.080) 2.749 7.932 ( -0.322 -0.635 -1.200) 1.395 8.197 ( 1.891 0.009 1.720) 2.556 8.661 ( 0.422 1.548 0.003) 1.604 9.142 ( 0.175 1.259 -1.579) 2.027 9.928 ( 3.700 4.055 2.998) 6.254 10.545 ( 0.503 0.272 0.953) 1.111 11.393 ( 1.145 2.932 2.730) 4.166 11.851 ( 0.232 4.361 1.960) 4.787 11.926 ( -1.641 3.402 1.643) 4.119 12.051 ( -0.424 3.712 0.638) 3.790 12.304 ( -0.371 0.506 0.261) 0.680 12.682 ( 1.113 1.409 -1.732) 2.495 12.905 ( -0.407 -0.566 0.068) 0.700 12.948 ( 0.376 0.191 1.794) 1.843 13.002 ( 1.410 0.862 1.417) 2.177 13.082 ( -1.684 0.484 -0.963) 2.000 13.421 ( -0.281 -4.254 -0.138) 4.265 13.689 ( 0.648 2.759 2.161) 3.564 14.083 ( 2.814 0.051 -0.963) 2.974 14.382 ( -3.338 0.255 -2.992) 4.490 ======================= Grid point 164 (83/165) ======================= q-point: (-0.12 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -2.894 1.005 2.426) 3.908 1.562 ( 2.832 -0.050 0.676) 2.912 1.922 ( -1.039 4.468 4.188) 6.211 2.122 ( 2.162 -6.363 1.977) 7.005 2.257 ( 7.025 -1.118 2.142) 7.428 2.482 ( -5.821 -2.474 0.077) 6.325 2.748 ( 0.513 -0.955 1.340) 1.723 2.786 ( -1.695 -1.484 -2.724) 3.535 2.901 ( 1.865 -0.728 -1.805) 2.696 3.293 ( 2.389 -0.875 -4.288) 4.986 3.484 ( 6.853 -0.048 -4.255) 8.067 3.676 ( -1.764 5.265 1.293) 5.701 3.792 ( 4.102 -0.229 0.690) 4.166 4.150 ( 8.990 7.294 3.774) 12.176 4.621 ( -3.807 -3.306 2.185) 5.495 5.166 ( -8.222 -0.579 0.420) 8.253 5.542 ( -18.727 -9.564 0.736) 21.041 6.274 ( 3.241 -1.384 2.803) 4.503 7.255 ( 0.943 -4.563 0.591) 4.697 7.527 ( 1.536 1.938 -1.280) 2.784 7.634 ( -0.935 0.028 -0.829) 1.250 7.787 ( -0.988 2.672 0.550) 2.902 7.961 ( 1.613 -3.606 -2.867) 4.882 8.209 ( 2.817 2.842 1.274) 4.199 8.656 ( -0.299 -0.889 0.241) 0.968 9.120 ( 0.723 0.832 -1.435) 1.809 9.914 ( 0.962 1.141 -0.226) 1.509 10.557 ( 0.231 -0.694 0.387) 0.828 11.375 ( -0.111 0.910 0.934) 1.309 11.804 ( 0.627 2.657 1.273) 3.013 11.853 ( -1.930 3.069 0.263) 3.635 12.008 ( -0.696 1.035 0.200) 1.263 12.291 ( -0.135 0.940 -0.001) 0.950 12.669 ( 1.055 0.170 -1.829) 2.119 12.896 ( -1.629 0.549 0.557) 1.807 12.961 ( 1.082 -0.064 1.093) 1.539 13.017 ( 1.749 0.255 1.140) 2.103 13.052 ( -1.316 0.300 -1.255) 1.843 13.476 ( 0.137 -1.872 -0.044) 1.878 13.667 ( 0.137 1.182 1.781) 2.142 14.126 ( 5.244 -0.819 -0.685) 5.351 14.332 ( -5.214 -0.947 -1.820) 5.603 ======================= Grid point 169 (84/165) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -0.859 -0.000 -0.829) 1.193 1.513 ( -9.743 -0.000 1.878) 9.922 1.564 ( -2.934 -0.000 -0.684) 3.013 2.087 ( 0.474 0.000 -2.571) 2.615 2.141 ( 0.740 0.000 2.493) 2.601 2.282 ( -4.015 -0.000 0.671) 4.071 2.485 ( 0.749 0.000 -3.536) 3.614 2.722 ( -7.594 -0.000 -4.459) 8.807 2.756 ( 0.732 0.000 -17.658) 17.673 2.964 ( -5.511 -0.000 -2.439) 6.026 3.667 ( -7.664 -0.000 6.520) 10.062 3.727 ( 3.043 0.000 -2.762) 4.109 4.021 ( -4.748 -0.000 -5.177) 7.024 4.242 ( 2.498 0.000 -0.848) 2.638 4.539 ( 8.091 0.000 1.892) 8.310 4.855 ( -2.602 -0.000 -2.785) 3.811 5.621 ( -12.555 -0.000 -1.466) 12.641 6.169 ( -0.276 -0.000 -2.778) 2.791 6.874 ( -0.329 -0.000 0.958) 1.013 7.586 ( -0.697 -0.000 0.275) 0.749 7.660 ( 2.846 0.000 -4.105) 4.995 7.798 ( -0.585 -0.000 -6.679) 6.705 7.824 ( -0.083 -0.000 0.325) 0.336 8.218 ( 0.825 0.000 2.346) 2.487 8.747 ( -0.263 -0.000 -0.270) 0.377 9.195 ( 0.053 0.000 -1.654) 1.655 10.030 ( 4.644 0.000 6.550) 8.029 10.574 ( 1.405 0.000 3.168) 3.466 11.494 ( 2.088 0.000 4.722) 5.163 11.950 ( 2.324 0.000 5.327) 5.812 12.038 ( 0.315 0.000 2.878) 2.895 12.257 ( 0.422 0.000 2.023) 2.066 12.290 ( -2.116 -0.000 0.772) 2.252 12.786 ( 0.772 0.000 0.489) 0.914 12.835 ( 1.531 0.000 1.760) 2.333 12.940 ( -1.385 -0.000 -0.543) 1.487 13.021 ( -0.419 -0.000 1.442) 1.502 13.102 ( 0.716 0.000 0.800) 1.074 13.289 ( -0.894 -0.000 -0.268) 0.933 13.740 ( 0.773 0.000 1.731) 1.896 14.120 ( -1.260 -0.000 -1.370) 1.861 14.447 ( -0.874 -0.000 -4.320) 4.408 ======================= Grid point 170 (85/165) ======================= q-point: (-0.38 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -5.778 -0.511 -1.460) 5.982 1.522 ( -2.082 -1.355 -0.713) 2.584 1.576 ( -6.704 -12.121 0.447) 13.859 2.065 ( -0.674 0.920 0.756) 1.368 2.191 ( 3.079 -1.887 -0.966) 3.738 2.288 ( -4.403 -6.197 -1.830) 7.819 2.508 ( -0.153 -4.255 -7.106) 8.284 2.642 ( -8.600 -2.612 -2.770) 9.405 2.682 ( 0.159 -1.924 -9.362) 9.559 2.957 ( -1.733 -5.426 -5.235) 7.736 3.627 ( -4.772 1.307 6.117) 7.868 3.749 ( 3.709 -0.225 -2.464) 4.458 3.929 ( -4.130 3.248 -3.376) 6.245 4.261 ( 4.230 0.846 -0.876) 4.402 4.587 ( 3.143 1.711 0.376) 3.598 4.901 ( 3.982 -5.969 -1.606) 7.353 5.400 ( -32.421 -4.015 -1.180) 32.690 6.207 ( 7.390 0.263 -2.071) 7.679 6.915 ( 0.953 -3.888 0.796) 4.081 7.582 ( -0.468 -0.045 0.094) 0.479 7.661 ( 1.244 -0.032 -3.237) 3.468 7.766 ( 1.242 -0.152 -5.861) 5.993 7.848 ( -0.739 -2.907 0.038) 3.000 8.228 ( 1.198 1.437 2.269) 2.941 8.731 ( 0.306 1.549 -0.423) 1.635 9.178 ( -0.361 0.724 -1.507) 1.710 10.093 ( 7.002 3.220 5.345) 9.379 10.594 ( 1.764 1.771 3.042) 3.937 11.517 ( 2.540 2.921 4.390) 5.852 11.979 ( -0.094 1.313 4.609) 4.793 12.026 ( -0.332 3.304 2.955) 4.445 12.215 ( -1.613 4.268 1.524) 4.810 12.290 ( -2.174 -1.173 1.051) 2.684 12.762 ( 0.696 2.920 -0.075) 3.003 12.874 ( 0.206 -1.591 0.990) 1.886 12.939 ( 0.633 -0.599 0.740) 1.143 13.026 ( 0.472 0.390 1.453) 1.576 13.106 ( 0.398 0.810 0.336) 0.963 13.297 ( -0.844 -2.264 -0.152) 2.421 13.753 ( 1.204 0.828 1.919) 2.411 14.105 ( 1.552 0.818 -1.326) 2.199 14.396 ( -3.958 0.322 -4.427) 5.947 ======================= Grid point 171 (86/165) ======================= q-point: (-0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -7.808 -1.862 -0.610) 8.050 1.521 ( 0.461 -1.030 -1.055) 1.545 1.754 ( -7.588 -13.711 0.779) 15.690 2.062 ( 1.070 0.080 0.404) 1.146 2.253 ( 5.641 -1.628 -0.260) 5.877 2.363 ( 0.674 -5.596 -3.196) 6.479 2.523 ( -9.700 -6.127 -6.377) 13.126 2.614 ( -3.592 -6.872 0.114) 7.755 2.774 ( 1.401 -7.686 -1.347) 7.928 3.032 ( 0.315 -8.682 -8.340) 12.043 3.588 ( -2.763 2.915 3.993) 5.663 3.779 ( 4.061 1.010 -0.214) 4.191 3.810 ( -3.819 2.715 -1.699) 4.984 4.294 ( 7.151 1.457 0.211) 7.300 4.579 ( 0.166 0.573 -0.583) 0.834 5.026 ( -7.035 -6.367 -0.378) 9.496 5.218 ( -18.690 -8.700 0.107) 20.616 6.247 ( 2.638 -0.072 -0.351) 2.662 7.025 ( 2.248 -6.736 0.497) 7.118 7.576 ( 0.311 0.645 -0.580) 0.921 7.650 ( -0.830 0.096 -1.618) 1.821 7.771 ( 2.694 -1.593 -4.718) 5.662 7.890 ( -1.637 -2.870 -0.197) 3.310 8.225 ( 1.034 1.115 1.762) 2.328 8.700 ( 0.489 2.250 -0.362) 2.331 9.152 ( -0.327 1.028 -1.298) 1.688 10.109 ( 7.736 6.778 3.913) 11.004 10.583 ( 1.229 2.461 1.737) 3.253 11.493 ( 1.959 4.861 3.176) 6.128 11.943 ( -1.160 4.565 2.716) 5.437 11.972 ( -2.241 3.141 2.804) 4.769 12.120 ( -2.151 5.205 0.743) 5.681 12.294 ( -1.548 -0.760 0.770) 1.889 12.719 ( 0.859 2.607 -1.004) 2.923 12.893 ( -0.215 -0.438 0.368) 0.611 12.969 ( 1.265 -0.460 1.823) 2.267 13.033 ( 0.808 0.445 1.347) 1.633 13.084 ( -0.135 1.716 -0.525) 1.800 13.344 ( -0.567 -4.076 -0.075) 4.116 13.750 ( 0.959 2.185 1.935) 3.072 14.116 ( 4.405 0.370 -0.999) 4.532 14.320 ( -5.973 0.022 -3.789) 7.074 ======================= Grid point 172 (87/165) ======================= q-point: (-0.12 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -5.059 -2.779 1.190) 5.893 1.552 ( 0.286 -2.452 -0.594) 2.539 1.879 ( -7.751 -10.489 2.097) 13.209 2.059 ( 2.812 2.560 -1.385) 4.047 2.343 ( 2.141 -1.915 1.567) 3.273 2.385 ( -2.791 -0.870 0.891) 3.056 2.593 ( -2.238 -12.470 -2.336) 12.883 2.733 ( 0.255 -6.171 0.929) 6.245 2.866 ( 0.022 -3.214 -2.359) 3.987 3.171 ( 2.648 -10.992 -8.009) 13.855 3.515 ( -1.583 2.818 -0.044) 3.232 3.740 ( -0.535 2.667 1.921) 3.330 3.833 ( 2.664 -1.619 1.375) 3.407 4.354 ( 10.096 2.205 2.230) 10.572 4.561 ( -6.273 -1.913 -0.492) 6.577 4.963 ( -15.987 -4.246 1.426) 16.602 5.309 ( 0.323 -6.969 -0.501) 6.995 6.273 ( -0.477 -1.859 1.948) 2.734 7.172 ( 2.557 -7.274 0.461) 7.724 7.562 ( 0.975 1.257 -1.065) 1.915 7.626 ( -1.178 0.674 -0.816) 1.584 7.802 ( 0.663 -0.826 -1.392) 1.749 7.903 ( -0.581 -1.768 -2.030) 2.753 8.239 ( 0.050 -0.929 1.104) 1.444 8.667 ( 0.237 1.861 -0.113) 1.879 9.128 ( 0.068 0.683 -1.277) 1.450 10.052 ( 5.378 9.468 1.947) 11.061 10.567 ( 0.723 1.161 0.609) 1.497 11.434 ( 0.439 4.869 1.546) 5.127 11.868 ( -1.058 3.924 1.625) 4.377 11.900 ( -2.462 3.805 1.542) 4.787 12.033 ( -1.172 3.216 0.270) 3.434 12.290 ( -1.278 -0.163 0.089) 1.292 12.687 ( 1.205 1.558 -1.590) 2.532 12.892 ( -0.605 0.306 0.489) 0.836 12.988 ( 0.824 0.594 1.416) 1.742 13.031 ( -1.119 0.565 -0.333) 1.297 13.063 ( 1.922 1.076 0.852) 2.362 13.414 ( -0.234 -4.605 -0.060) 4.612 13.718 ( -0.209 3.194 1.653) 3.603 14.165 ( 6.075 -0.573 -1.086) 6.197 14.249 ( -6.110 -0.771 -2.348) 6.591 ======================= Grid point 178 (88/165) ======================= q-point: (-0.38 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -13.375 -0.000 1.707) 13.484 1.336 ( -10.250 -0.000 -2.260) 10.496 1.540 ( 0.138 0.000 -0.362) 0.387 2.077 ( 0.874 0.000 -1.675) 1.889 2.092 ( -10.899 -0.000 2.407) 11.162 2.247 ( 6.054 0.000 -4.406) 7.487 2.432 ( 1.753 0.000 -10.308) 10.456 2.520 ( -12.591 -0.000 3.439) 13.053 2.616 ( 2.175 0.000 -11.409) 11.615 2.880 ( 0.119 0.000 -3.808) 3.810 3.650 ( -0.939 -0.000 8.134) 8.189 3.738 ( -0.125 -0.000 -5.216) 5.217 3.923 ( -1.519 -0.000 -0.500) 1.599 4.327 ( 8.614 0.000 -1.177) 8.694 4.573 ( -13.938 -0.000 -0.308) 13.941 4.904 ( 11.060 0.000 -2.847) 11.420 5.047 ( -26.659 -0.000 0.657) 26.667 6.255 ( 3.315 0.000 -1.710) 3.731 6.900 ( 1.978 0.000 0.853) 2.154 7.577 ( -0.616 -0.000 0.521) 0.807 7.652 ( 0.264 0.000 -3.079) 3.091 7.754 ( 3.006 0.000 -6.081) 6.783 7.813 ( -1.527 -0.000 0.310) 1.558 8.266 ( 1.137 0.000 2.180) 2.459 8.744 ( 0.152 0.000 -0.559) 0.579 9.173 ( -0.361 -0.000 -1.184) 1.238 10.221 ( 8.771 0.000 3.444) 9.423 10.651 ( 2.443 0.000 3.344) 4.141 11.593 ( 3.006 0.000 3.645) 4.725 11.995 ( -3.652 -0.000 3.915) 5.354 12.077 ( 0.323 0.000 3.014) 3.031 12.213 ( -6.029 -0.000 1.589) 6.235 12.281 ( -0.376 -0.000 1.857) 1.895 12.805 ( 0.520 0.000 0.488) 0.713 12.851 ( -0.889 -0.000 0.980) 1.323 12.947 ( 1.589 0.000 0.608) 1.702 13.046 ( 1.215 0.000 1.330) 1.801 13.125 ( 0.693 0.000 0.350) 0.776 13.267 ( -1.027 -0.000 -0.167) 1.041 13.784 ( 1.459 0.000 1.818) 2.331 14.132 ( 3.971 0.000 -1.006) 4.097 14.322 ( -6.536 -0.000 -4.602) 7.994 ======================= Grid point 179 (89/165) ======================= q-point: (-0.25 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -13.070 -2.646 -0.562) 13.347 1.352 ( -13.302 -15.598 2.032) 20.600 1.544 ( -0.285 -1.841 0.601) 1.958 2.006 ( -7.014 -2.822 1.365) 7.683 2.188 ( -0.875 -10.396 -2.457) 10.718 2.295 ( 7.474 -0.217 -2.761) 7.971 2.384 ( -6.472 0.409 -2.280) 6.874 2.470 ( -4.048 -4.990 -0.550) 6.449 2.646 ( 2.084 -6.646 -4.347) 8.211 2.890 ( -0.367 -3.613 -5.846) 6.882 3.664 ( -0.291 3.389 4.684) 5.788 3.727 ( -0.088 -1.770 -2.308) 2.910 3.867 ( -3.317 3.907 1.373) 5.306 4.345 ( -20.283 -3.537 0.397) 20.593 4.433 ( -1.042 -2.515 -1.575) 3.145 4.908 ( -1.925 0.272 1.329) 2.355 5.079 ( 12.506 -5.220 -1.860) 13.678 6.252 ( -1.845 0.260 -0.043) 1.864 6.962 ( 3.050 -3.915 0.762) 5.020 7.578 ( -0.221 -0.226 0.326) 0.454 7.635 ( -0.529 0.130 -1.852) 1.931 7.757 ( 3.497 -0.422 -5.636) 6.646 7.819 ( -2.417 -2.678 0.066) 3.608 8.269 ( 0.422 1.703 1.736) 2.468 8.730 ( -0.019 1.258 -0.407) 1.323 9.158 ( -0.336 0.767 -0.903) 1.232 10.296 ( 9.082 3.369 1.946) 9.880 10.661 ( 1.809 3.227 2.089) 4.248 11.606 ( 2.539 3.729 2.319) 5.072 11.951 ( -6.678 0.872 1.949) 7.012 12.051 ( -0.505 4.324 2.979) 5.275 12.162 ( -4.158 1.756 1.717) 4.829 12.276 ( -1.264 0.264 1.299) 1.832 12.770 ( 0.339 3.166 0.036) 3.185 12.879 ( -0.180 -1.745 0.748) 1.907 12.973 ( 0.945 -0.859 1.232) 1.775 13.057 ( 0.814 0.792 0.955) 1.484 13.117 ( 0.592 1.507 -0.170) 1.628 13.280 ( -0.895 -2.649 -0.056) 2.796 13.797 ( 0.874 1.122 1.533) 2.091 14.170 ( 5.572 0.661 -0.760) 5.662 14.232 ( -6.809 -0.411 -3.678) 7.750 ======================= Grid point 180 (90/165) ======================= q-point: (-0.12 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -9.533 -7.337 1.500) 12.122 1.453 ( -8.542 -7.723 1.448) 11.607 1.640 ( -3.800 -9.157 2.814) 10.306 2.065 ( -1.865 -6.588 -0.221) 6.850 2.225 ( -12.284 -1.625 -0.024) 12.391 2.372 ( 3.572 -7.055 0.164) 7.909 2.414 ( 4.016 -4.610 1.881) 6.396 2.595 ( 0.751 -10.013 0.981) 10.089 2.776 ( 0.023 -6.141 -1.972) 6.450 2.953 ( 1.469 -10.662 -7.553) 13.148 3.560 ( -6.231 5.709 0.818) 8.490 3.721 ( -4.148 -2.063 -1.091) 4.759 3.848 ( 2.246 -0.259 4.145) 4.722 4.228 ( -26.348 -9.386 1.725) 28.023 4.496 ( 8.513 0.421 -0.071) 8.523 4.946 ( 6.085 -0.484 1.380) 6.258 5.281 ( 14.839 -3.279 -1.427) 15.263 6.233 ( -3.998 -1.398 2.097) 4.726 7.087 ( 3.648 -6.383 0.723) 7.387 7.576 ( 0.151 0.471 -0.613) 0.787 7.621 ( -0.735 0.175 -0.527) 0.921 7.775 ( 1.824 -1.515 -3.783) 4.465 7.845 ( -2.283 -3.154 -0.715) 3.958 8.243 ( -0.811 1.725 1.168) 2.235 8.701 ( -0.204 1.902 -0.019) 1.913 9.135 ( -0.278 0.928 -0.855) 1.292 10.285 ( 6.901 8.894 0.659) 11.276 10.616 ( 0.663 3.497 0.550) 3.601 11.544 ( 0.625 6.340 0.955) 6.442 11.878 ( -5.698 0.880 0.639) 5.801 11.974 ( -1.263 5.353 2.239) 5.938 12.088 ( -1.709 3.945 0.795) 4.372 12.268 ( -1.897 -0.466 0.687) 2.070 12.725 ( 0.779 2.609 -0.844) 2.851 12.897 ( 0.011 -0.101 0.509) 0.519 12.994 ( -0.678 -0.263 0.770) 1.059 13.046 ( 0.415 1.459 0.373) 1.562 13.101 ( 0.932 0.976 0.552) 1.458 13.334 ( -0.455 -4.471 0.152) 4.497 13.772 ( -0.826 2.789 0.972) 3.067 14.149 ( -5.195 -0.742 -2.872) 5.982 14.236 ( 6.419 0.100 -0.042) 6.420 ======================= Grid point 187 (91/165) ======================= q-point: (-0.25 -0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -17.512 -0.000 8.096) 19.293 1.055 ( -16.362 -0.000 3.349) 16.701 1.526 ( -2.671 -0.000 0.800) 2.788 1.891 ( -11.773 -0.000 2.565) 12.049 2.088 ( 1.899 0.000 -0.990) 2.141 2.292 ( -14.383 -0.000 11.536) 18.438 2.389 ( 6.629 0.000 -0.850) 6.684 2.394 ( 5.769 0.000 -8.421) 10.207 2.586 ( 3.786 0.000 -5.763) 6.895 2.825 ( -2.592 -0.000 -3.773) 4.578 3.643 ( -2.856 -0.000 -4.146) 5.034 3.790 ( -1.112 -0.000 7.109) 7.196 3.893 ( -2.325 -0.000 0.561) 2.391 3.924 ( -31.681 -0.000 0.513) 31.686 4.515 ( 9.762 0.000 -0.682) 9.786 4.899 ( -0.431 -0.000 1.638) 1.694 5.227 ( 23.954 0.000 -1.902) 24.029 6.221 ( -5.350 -0.000 1.479) 5.551 6.970 ( 4.335 0.000 0.882) 4.424 7.574 ( -0.519 -0.000 0.805) 0.958 7.623 ( -0.321 -0.000 -1.673) 1.704 7.762 ( 4.343 0.000 -6.079) 7.471 7.764 ( -4.277 -0.000 0.508) 4.307 8.294 ( -0.323 -0.000 1.408) 1.445 8.738 ( -0.253 -0.000 -0.245) 0.352 9.157 ( -0.504 -0.000 -0.654) 0.826 10.413 ( 8.338 0.000 0.258) 8.342 10.718 ( 1.555 0.000 0.738) 1.721 11.676 ( 2.939 0.000 0.836) 3.056 11.885 ( -9.017 -0.000 0.628) 9.039 12.110 ( -0.211 -0.000 2.252) 2.262 12.124 ( -5.665 -0.000 2.655) 6.256 12.279 ( -1.217 -0.000 1.054) 1.610 12.817 ( 0.214 0.000 0.511) 0.554 12.851 ( -0.516 -0.000 1.367) 1.461 12.979 ( 0.650 0.000 0.751) 0.993 13.074 ( 0.074 0.000 0.522) 0.527 13.135 ( 0.744 0.000 -0.550) 0.926 13.244 ( -1.305 -0.000 -0.099) 1.309 13.818 ( 0.033 0.000 0.920) 0.920 14.138 ( -6.643 -0.000 -2.996) 7.287 14.242 ( 7.203 0.000 0.135) 7.204 ======================= Grid point 188 (92/165) ======================= q-point: (-0.12 -0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -14.071 -6.805 8.593) 17.836 1.151 ( -13.572 -15.904 10.430) 23.365 1.528 ( -4.087 -5.142 3.290) 7.347 1.841 ( -12.089 -6.476 5.032) 14.608 2.146 ( -5.107 -1.295 5.552) 7.654 2.266 ( -5.714 -8.032 6.167) 11.627 2.424 ( 7.152 0.038 -2.216) 7.488 2.500 ( 6.311 -5.113 -1.132) 8.201 2.664 ( 3.461 -6.152 -2.497) 7.487 2.800 ( -1.769 -4.144 -4.357) 6.268 3.517 ( -22.585 2.600 0.071) 22.734 3.617 ( -5.132 -2.141 -2.516) 6.103 3.881 ( -2.211 -0.717 1.769) 2.921 3.954 ( 0.095 -3.171 3.300) 4.578 4.590 ( 7.662 0.703 0.603) 7.718 4.943 ( 1.176 -3.338 2.268) 4.203 5.462 ( 24.808 0.048 -1.335) 24.844 6.180 ( -5.895 -0.671 3.346) 6.811 7.053 ( 5.589 -3.437 0.891) 6.622 7.575 ( -0.910 -0.129 0.185) 0.938 7.612 ( -0.463 -0.055 -0.786) 0.914 7.732 ( -4.980 -1.688 0.102) 5.259 7.784 ( 3.578 -1.349 -5.027) 6.316 8.277 ( -1.097 1.956 1.181) 2.535 8.723 ( -0.537 1.174 0.175) 1.302 9.141 ( -0.742 0.705 -0.549) 1.161 10.455 ( 6.138 3.879 -1.049) 7.337 10.688 ( -0.035 3.984 -0.962) 4.099 11.652 ( 0.624 5.354 -0.418) 5.406 11.815 ( -6.358 -1.236 -0.236) 6.482 12.045 ( -3.243 3.740 1.851) 5.285 12.112 ( -2.903 0.939 1.063) 3.231 12.262 ( -1.096 0.982 0.986) 1.771 12.777 ( 0.115 3.264 0.101) 3.268 12.883 ( -0.708 -1.780 0.913) 2.122 12.989 ( -0.226 -0.124 0.634) 0.684 13.070 ( 0.049 0.368 0.386) 0.536 13.121 ( 0.121 1.474 -0.755) 1.661 13.263 ( -0.673 -3.399 0.112) 3.467 13.801 ( -1.513 1.631 0.148) 2.230 14.080 ( -3.656 -0.591 -1.453) 3.979 14.309 ( 6.901 0.429 0.503) 6.933 ======================= Grid point 196 (93/165) ======================= q-point: (-0.12 -0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -12.153 -0.000 18.747) 22.342 0.903 ( -11.078 -0.000 20.509) 23.310 1.409 ( -13.473 -0.000 11.845) 17.939 1.749 ( -5.785 -0.000 7.970) 9.849 2.130 ( 2.151 0.000 1.093) 2.412 2.163 ( -12.028 -0.000 15.425) 19.560 2.447 ( 4.309 0.000 -2.927) 5.209 2.551 ( 7.239 0.000 0.937) 7.300 2.660 ( 9.862 0.000 -3.166) 10.358 2.717 ( -2.893 -0.000 -2.720) 3.971 3.290 ( -20.799 -0.000 -1.007) 20.823 3.559 ( -1.487 -0.000 -3.512) 3.814 3.857 ( -2.155 -0.000 1.680) 2.732 4.004 ( 4.823 0.000 1.176) 4.964 4.663 ( 5.572 0.000 0.663) 5.612 4.940 ( 0.778 0.000 5.145) 5.204 5.689 ( 22.077 0.000 -0.978) 22.098 6.143 ( -4.722 -0.000 5.008) 6.883 7.094 ( 7.639 0.000 0.995) 7.704 7.552 ( -4.562 -0.000 0.747) 4.623 7.603 ( -0.223 -0.000 -1.267) 1.287 7.661 ( -5.404 -0.000 0.769) 5.459 7.793 ( 5.183 0.000 -5.289) 7.405 8.287 ( -1.620 -0.000 1.278) 2.064 8.730 ( -0.526 -0.000 0.530) 0.747 9.135 ( -1.151 -0.000 -0.396) 1.217 10.527 ( 3.881 0.000 -2.241) 4.481 10.706 ( -1.436 -0.000 -3.132) 3.446 11.720 ( -6.507 -0.000 -1.281) 6.632 11.722 ( 2.082 0.000 -1.594) 2.622 12.037 ( -5.818 -0.000 2.046) 6.167 12.096 ( -2.499 -0.000 -0.373) 2.527 12.273 ( -0.400 -0.000 0.980) 1.058 12.822 ( -0.353 -0.000 0.311) 0.470 12.842 ( -2.219 -0.000 1.084) 2.470 12.993 ( 0.302 0.000 0.528) 0.608 13.066 ( -0.423 -0.000 -0.306) 0.523 13.143 ( 0.617 0.000 -0.604) 0.864 13.219 ( -0.866 -0.000 -0.091) 0.870 13.798 ( -1.567 -0.000 -0.300) 1.595 14.048 ( -1.061 -0.000 0.107) 1.066 14.379 ( 5.492 0.000 0.958) 5.575 ======================= Grid point 197 (94/165) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 1.279 0.000 8.627) 8.722 1.446 ( 0.598 0.000 15.871) 15.882 1.693 ( 1.961 0.000 4.371) 4.790 2.023 ( 3.166 0.000 8.214) 8.803 2.221 ( 0.457 0.000 1.939) 1.993 2.415 ( 2.097 0.000 -3.390) 3.986 2.548 ( 0.918 0.000 8.400) 8.450 2.682 ( -3.214 -0.000 6.738) 7.465 2.808 ( 5.773 0.000 6.531) 8.717 2.823 ( 9.163 0.000 -3.163) 9.693 2.996 ( -3.800 -0.000 1.935) 4.264 3.467 ( 2.575 0.000 -2.309) 3.459 3.926 ( 0.510 0.000 3.191) 3.231 3.929 ( -2.428 -0.000 -4.467) 5.084 4.784 ( 0.496 0.000 2.402) 2.453 5.171 ( -2.355 -0.000 7.760) 8.109 5.959 ( 3.762 0.000 0.312) 3.775 6.325 ( 2.967 0.000 6.112) 6.794 7.261 ( -1.791 -0.000 1.243) 2.180 7.418 ( -0.479 -0.000 0.304) 0.568 7.566 ( 1.117 0.000 -2.310) 2.566 7.642 ( -0.176 -0.000 0.316) 0.362 7.797 ( 4.123 0.000 -0.312) 4.135 8.274 ( -0.810 -0.000 -0.765) 1.114 8.787 ( 1.080 0.000 2.116) 2.376 9.098 ( -0.574 -0.000 -0.657) 0.872 10.272 ( -5.312 -0.000 -9.531) 10.912 10.647 ( -0.210 -0.000 0.005) 0.210 11.568 ( -1.663 -0.000 -2.607) 3.092 11.644 ( -1.711 -0.000 -3.039) 3.487 12.001 ( -1.941 -0.000 -1.009) 2.187 12.007 ( -1.704 -0.000 1.770) 2.457 12.280 ( -0.930 -0.000 0.312) 0.981 12.797 ( -2.494 -0.000 0.078) 2.495 12.812 ( -1.115 -0.000 0.318) 1.159 13.019 ( 0.430 0.000 0.511) 0.668 13.048 ( 0.173 0.000 -0.768) 0.787 13.135 ( 0.258 0.000 -0.351) 0.436 13.223 ( 0.679 0.000 0.335) 0.757 13.782 ( 0.173 0.000 -0.058) 0.182 14.094 ( 2.124 0.000 1.006) 2.350 14.476 ( 0.351 0.000 1.136) 1.189 ======================= Grid point 198 (95/165) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 5.954 -2.567 5.940) 8.794 1.578 ( 2.781 -2.164 9.946) 10.551 1.796 ( -0.302 -9.442 4.769) 10.582 2.055 ( 3.291 2.465 5.863) 7.162 2.329 ( -0.756 -8.752 1.295) 8.880 2.423 ( 2.536 -1.174 -1.272) 3.070 2.603 ( -2.193 0.052 0.757) 2.321 2.677 ( 4.813 0.087 3.481) 5.941 2.831 ( 4.726 0.166 0.883) 4.810 2.993 ( 4.600 -5.597 -1.847) 7.477 3.085 ( 7.334 -6.383 7.682) 12.391 3.486 ( 4.773 0.985 -3.099) 5.776 3.869 ( -1.261 1.246 -1.824) 2.544 3.960 ( 1.531 -0.572 1.680) 2.344 4.804 ( -3.871 -2.060 2.633) 5.115 5.168 ( -5.298 -0.046 6.184) 8.144 5.935 ( -8.079 0.762 -0.475) 8.128 6.384 ( 5.262 1.469 4.352) 6.984 7.209 ( -11.070 -3.185 1.173) 11.579 7.476 ( 8.195 0.969 -0.104) 8.253 7.584 ( 2.279 -2.079 -1.454) 3.410 7.667 ( 0.979 -2.337 0.054) 2.534 7.832 ( 3.623 -0.220 -0.534) 3.669 8.242 ( -0.957 2.243 -1.030) 2.647 8.793 ( 0.514 1.687 1.632) 2.403 9.090 ( 0.418 0.427 -0.483) 0.769 10.134 ( -5.350 4.415 -6.639) 9.601 10.632 ( -0.966 1.015 0.110) 1.405 11.508 ( -0.646 3.892 -1.836) 4.352 11.642 ( -1.409 -3.016 -1.817) 3.793 11.943 ( -0.538 3.473 0.295) 3.526 12.031 ( 1.072 -0.446 1.154) 1.637 12.265 ( -1.053 0.504 0.475) 1.260 12.742 ( -1.140 2.826 0.105) 3.050 12.835 ( -1.503 -2.360 0.859) 2.927 13.022 ( 0.179 0.468 0.066) 0.506 13.037 ( 0.071 0.764 -0.646) 1.003 13.091 ( 0.490 3.328 -0.122) 3.366 13.298 ( 1.010 -5.522 0.272) 5.620 13.769 ( -0.115 1.521 -0.072) 1.527 14.121 ( 3.847 0.666 0.156) 3.908 14.458 ( -2.457 1.510 0.742) 2.978 ======================= Grid point 199 (96/165) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 1.181 -1.087 3.845) 4.166 1.635 ( 2.121 1.230 2.571) 3.552 1.948 ( -5.582 -4.298 7.749) 10.473 2.163 ( 6.997 -7.215 3.864) 10.768 2.397 ( 0.247 0.453 -0.852) 0.996 2.494 ( -3.704 -2.587 -2.056) 4.963 2.559 ( -1.667 -3.667 -1.029) 4.157 2.745 ( 4.114 -1.061 -1.887) 4.649 2.923 ( 6.099 -0.671 2.138) 6.498 3.130 ( 10.369 -4.884 -1.361) 11.542 3.339 ( 6.657 -9.900 3.918) 12.557 3.482 ( 7.506 2.873 -5.384) 9.674 3.860 ( 0.938 -0.021 1.421) 1.703 4.018 ( 5.834 -2.745 1.160) 6.551 4.781 ( -8.929 -0.287 3.422) 9.567 5.148 ( -5.921 -1.054 3.153) 6.790 5.767 ( -17.986 3.335 -0.885) 18.314 6.416 ( 4.908 2.836 2.524) 6.205 7.204 ( -6.812 -5.927 0.989) 9.083 7.506 ( 4.123 1.420 -1.293) 4.548 7.638 ( 1.230 -1.320 -0.228) 1.819 7.721 ( 2.613 -0.885 0.237) 2.769 7.897 ( 3.535 -4.591 -1.411) 5.963 8.179 ( -0.331 3.158 -1.089) 3.356 8.757 ( -0.716 3.096 0.883) 3.298 9.089 ( 1.475 0.402 -0.601) 1.643 9.979 ( -3.573 5.306 -2.177) 6.757 10.602 ( -1.161 1.322 0.185) 1.769 11.427 ( -1.168 3.566 -0.390) 3.773 11.693 ( 1.105 -3.831 -0.328) 4.000 11.885 ( 0.147 3.494 0.892) 3.609 12.039 ( 1.643 1.865 0.765) 2.601 12.260 ( -0.380 -0.538 0.427) 0.785 12.688 ( -0.366 2.531 -0.305) 2.576 12.866 ( -1.213 -2.049 1.246) 2.687 12.995 ( -0.163 1.402 -0.677) 1.565 13.039 ( 0.897 0.444 0.430) 1.090 13.054 ( 0.726 1.561 0.105) 1.725 13.398 ( 0.336 -5.150 0.128) 5.163 13.733 ( -0.406 2.332 0.148) 2.372 14.147 ( 5.287 1.303 -0.988) 5.534 14.390 ( -4.790 2.611 0.154) 5.458 ======================= Grid point 200 (97/165) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -1.503 0.736 1.772) 2.437 1.626 ( 0.499 1.851 0.177) 1.925 1.970 ( -4.577 -1.506 5.378) 7.221 2.261 ( -1.564 6.691 -1.419) 7.017 2.378 ( -5.220 -4.209 -1.232) 6.818 2.449 ( 2.210 0.395 2.671) 3.489 2.654 ( 0.338 -5.698 -2.908) 6.406 2.787 ( 2.518 -0.742 -1.486) 3.017 2.943 ( 2.878 2.921 -0.079) 4.101 3.248 ( 5.114 1.201 -3.777) 6.470 3.470 ( 6.519 -1.855 -3.170) 7.483 3.598 ( 6.962 -4.749 1.464) 8.554 3.890 ( 4.440 0.199 2.148) 4.936 4.218 ( 14.842 -8.083 1.583) 16.975 4.683 ( -10.975 2.133 2.983) 11.571 5.095 ( -9.908 1.241 1.725) 10.134 5.512 ( -15.683 4.782 -0.614) 16.407 6.415 ( 2.483 2.993 1.718) 4.251 7.263 ( -2.492 -4.994 0.560) 5.609 7.511 ( 2.373 0.709 -0.999) 2.670 7.635 ( 0.667 1.953 -0.779) 2.206 7.753 ( 0.302 -1.676 0.585) 1.801 7.954 ( 0.618 1.590 -2.929) 3.389 8.183 ( 1.971 -4.022 0.150) 4.482 8.696 ( -1.241 3.089 0.610) 3.384 9.094 ( 1.477 0.335 -1.045) 1.840 9.893 ( -1.006 1.170 0.658) 1.677 10.575 ( -0.751 0.772 0.274) 1.112 11.376 ( -1.107 1.046 0.604) 1.638 11.775 ( 1.851 -3.649 0.342) 4.106 11.848 ( 0.312 1.626 1.322) 2.119 12.017 ( 0.316 1.939 0.446) 2.015 12.272 ( 0.050 -0.628 0.035) 0.631 12.652 ( 0.401 1.369 -0.815) 1.643 12.883 ( -1.135 -0.780 0.676) 1.534 12.982 ( -0.658 -0.177 -0.163) 0.701 13.024 ( 0.987 1.319 0.193) 1.658 13.070 ( 1.801 -0.630 1.308) 2.313 13.465 ( -0.424 -2.729 -0.238) 2.772 13.697 ( -0.516 1.351 0.792) 1.649 14.168 ( 5.203 1.567 -2.148) 5.843 14.293 ( -5.022 2.681 -0.058) 5.693 ======================= Grid point 201 (98/165) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -1.730 2.382 1.003) 3.110 1.591 ( -1.171 2.078 0.205) 2.394 1.959 ( -3.399 2.277 -0.175) 4.095 2.091 ( -3.300 5.262 1.502) 6.390 2.318 ( -9.305 0.585 2.181) 9.575 2.530 ( 5.703 -0.083 1.816) 5.986 2.693 ( 0.110 -0.455 -2.368) 2.414 2.769 ( 0.801 3.917 -2.243) 4.584 2.909 ( 1.895 4.301 0.591) 4.737 3.204 ( 4.030 5.321 -4.025) 7.794 3.497 ( 1.533 2.291 -1.448) 3.114 3.707 ( 1.058 -3.664 0.795) 3.895 3.942 ( 2.527 0.413 1.610) 3.025 4.487 ( -1.421 -0.683 0.916) 1.824 4.535 ( -2.098 1.612 3.517) 4.401 4.970 ( -3.044 1.427 2.307) 4.077 5.377 ( 0.763 2.162 -0.326) 2.316 6.382 ( -1.040 3.036 2.259) 3.925 7.293 ( 0.618 1.237 0.507) 1.473 7.522 ( 0.868 -0.755 -0.893) 1.457 7.605 ( 0.530 1.287 -0.651) 1.536 7.788 ( -0.342 -1.433 -0.140) 1.480 7.886 ( 0.210 2.973 -1.707) 3.434 8.251 ( -0.944 -1.102 -0.006) 1.451 8.659 ( -0.273 0.289 0.702) 0.807 9.095 ( 0.742 0.098 -1.197) 1.412 9.939 ( 0.812 -6.500 -0.259) 6.555 10.568 ( -0.186 -0.302 0.254) 0.436 11.380 ( -1.037 -2.422 0.536) 2.689 11.821 ( -1.010 -1.557 -0.045) 1.856 11.869 ( 0.992 -1.802 1.075) 2.321 12.000 ( -0.570 -0.332 0.346) 0.745 12.277 ( -0.425 -0.067 -0.032) 0.432 12.643 ( 0.784 -0.296 -1.181) 1.448 12.890 ( -0.225 -0.727 0.608) 0.974 12.968 ( -1.008 0.139 -1.308) 1.657 13.028 ( 0.288 -0.247 1.025) 1.093 13.110 ( 1.515 -0.770 1.602) 2.335 13.471 ( -0.243 1.416 -0.063) 1.438 13.695 ( -1.465 -1.423 1.030) 2.287 14.142 ( -2.582 1.769 -2.123) 3.782 14.250 ( 3.843 0.995 -0.210) 3.975 ======================= Grid point 202 (99/165) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -1.268 4.119 4.151) 5.984 1.531 ( -4.434 3.051 2.178) 5.807 1.829 ( -2.742 6.635 3.212) 7.865 2.093 ( -0.708 -2.294 3.366) 4.134 2.224 ( -6.243 2.729 3.286) 7.565 2.549 ( 3.089 4.495 0.169) 5.457 2.635 ( 4.177 8.359 0.355) 9.351 2.706 ( -3.377 -0.309 -1.103) 3.566 2.827 ( 0.503 7.469 1.692) 7.675 3.108 ( 6.686 10.482 -2.043) 12.600 3.445 ( -5.686 0.780 -0.863) 5.804 3.723 ( -2.590 1.850 -0.319) 3.199 3.946 ( -0.425 0.160 1.477) 1.545 4.168 ( -23.270 8.831 1.463) 24.932 4.654 ( 8.929 0.430 4.486) 10.002 5.044 ( 5.957 -1.201 1.653) 6.297 5.453 ( 17.746 -0.507 0.687) 17.766 6.324 ( -3.910 2.574 3.753) 6.000 7.250 ( 3.292 5.611 0.679) 6.540 7.535 ( -0.443 -0.973 -1.258) 1.651 7.604 ( 0.277 -0.766 -0.009) 0.815 7.759 ( 0.567 3.122 -1.832) 3.664 7.867 ( -1.314 1.016 1.044) 1.961 8.219 ( -2.407 0.436 -0.622) 2.524 8.682 ( 0.348 -1.731 0.871) 1.969 9.096 ( 0.089 -0.550 -1.064) 1.201 10.093 ( 0.678 -11.137 -3.578) 11.717 10.583 ( 0.184 -1.371 0.020) 1.384 11.434 ( -1.191 -5.034 -0.511) 5.198 11.820 ( -3.290 -0.457 -0.540) 3.365 11.908 ( -0.482 -2.897 -0.081) 2.938 12.025 ( -1.121 -2.874 0.198) 3.091 12.269 ( -0.840 0.203 0.345) 0.930 12.664 ( 0.703 -2.044 -1.176) 2.461 12.906 ( 0.214 -0.375 0.685) 0.810 12.959 ( -0.297 -0.959 -1.116) 1.501 13.040 ( -0.625 -0.949 0.534) 1.256 13.125 ( -0.565 0.489 0.467) 0.882 13.425 ( 0.221 4.073 0.868) 4.170 13.716 ( -2.355 -2.732 0.350) 3.624 14.083 ( -2.794 0.603 -0.595) 2.920 14.298 ( 6.272 -0.428 -0.220) 6.290 ======================= Grid point 203 (100/165) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -0.080 3.696 10.339) 10.980 1.425 ( -8.495 4.266 8.136) 12.512 1.761 ( 1.444 5.000 7.464) 9.099 2.027 ( -7.419 7.186 5.842) 11.866 2.254 ( 5.386 -3.593 2.579) 6.969 2.444 ( 0.992 9.411 1.979) 9.668 2.552 ( 2.751 5.651 -0.282) 6.291 2.672 ( -3.056 1.055 -0.790) 3.328 2.737 ( 1.286 5.366 6.427) 8.471 2.976 ( 8.731 13.403 0.572) 16.007 3.319 ( -14.502 2.435 -1.442) 14.776 3.598 ( -6.911 5.736 -0.425) 8.992 3.896 ( -5.529 1.972 2.030) 6.211 3.984 ( -2.335 -1.318 -1.042) 2.876 4.742 ( 6.813 1.583 4.468) 8.300 5.090 ( 3.143 1.189 3.591) 4.918 5.679 ( 21.533 -0.899 0.955) 21.573 6.277 ( -4.205 0.988 5.546) 7.030 7.207 ( 6.447 5.081 0.659) 8.235 7.530 ( -2.433 -0.882 -1.293) 2.893 7.617 ( -1.045 0.030 0.886) 1.370 7.708 ( 0.043 1.910 -1.893) 2.689 7.797 ( -1.490 4.864 0.902) 5.167 8.226 ( -0.781 -3.160 -1.027) 3.413 8.720 ( 0.294 -1.651 1.390) 2.178 9.102 ( -0.447 -0.894 -0.964) 1.389 10.248 ( -0.921 -10.216 -6.962) 12.396 10.612 ( 0.272 -1.747 -0.319) 1.797 11.507 ( -1.571 -5.738 -1.861) 6.233 11.769 ( -3.447 1.549 -1.460) 4.051 11.956 ( -2.227 -4.124 -0.808) 4.756 12.055 ( -2.873 -2.534 0.060) 3.831 12.264 ( -0.506 -0.300 0.643) 0.872 12.710 ( 0.237 -3.405 -0.817) 3.510 12.904 ( -0.740 0.686 0.252) 1.040 12.980 ( 0.532 -1.289 0.021) 1.395 13.056 ( -1.244 -2.139 -0.332) 2.497 13.092 ( -1.582 1.500 -0.648) 2.274 13.356 ( 0.348 5.121 1.221) 5.276 13.742 ( -1.514 -2.607 -0.077) 3.016 14.064 ( -0.894 -0.164 0.639) 1.111 14.373 ( 5.342 -1.373 0.526) 5.541 ======================= Grid point 204 (101/165) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -7.352 4.734 9.434) 12.863 1.403 ( -0.746 3.019 16.580) 16.869 1.709 ( 2.574 8.289 6.976) 11.136 1.942 ( -1.107 -0.142 7.936) 8.014 2.295 ( 1.877 9.765 2.878) 10.352 2.375 ( 1.806 -2.744 2.526) 4.144 2.534 ( 2.010 1.376 2.631) 3.585 2.629 ( 1.710 -0.133 -0.953) 1.962 2.732 ( -0.926 1.805 11.498) 11.675 2.862 ( 10.316 11.197 0.483) 15.232 3.111 ( -13.861 3.066 -0.678) 14.213 3.483 ( -1.461 1.789 -2.310) 3.267 3.889 ( -0.953 -1.791 2.123) 2.937 3.975 ( -1.435 -0.158 -2.691) 3.054 4.774 ( 3.458 2.468 3.111) 5.266 5.132 ( 1.754 0.147 6.748) 6.974 5.868 ( 14.166 -0.042 0.768) 14.187 6.277 ( -1.188 -0.202 6.629) 6.738 7.222 ( 8.807 2.610 0.829) 9.223 7.488 ( -8.764 -0.306 -0.198) 8.771 7.582 ( -0.630 1.526 -1.033) 1.948 7.666 ( -1.104 2.009 0.154) 2.298 7.762 ( 3.772 0.720 -0.569) 3.882 8.265 ( -0.486 -2.270 -0.838) 2.468 8.757 ( 0.668 -1.113 1.958) 2.349 9.104 ( -0.785 -0.636 -0.850) 1.320 10.319 ( -3.353 -5.763 -9.355) 11.488 10.638 ( 0.243 -1.110 -0.280) 1.170 11.563 ( -2.449 -4.473 -2.732) 5.785 11.699 ( -1.746 2.301 -2.534) 3.843 11.985 ( -3.291 -3.251 -0.609) 4.666 12.047 ( -3.276 -0.078 0.240) 3.285 12.275 ( -0.439 -0.955 0.446) 1.142 12.765 ( -0.845 -3.612 -0.345) 3.725 12.867 ( -2.093 2.200 0.150) 3.041 13.004 ( 0.726 -0.709 0.514) 1.137 13.055 ( -0.699 0.341 -1.062) 1.316 13.094 ( -0.394 -3.044 -0.282) 3.083 13.278 ( 0.373 5.194 0.742) 5.260 13.769 ( -0.270 -1.554 -0.076) 1.579 14.072 ( 0.569 -0.294 1.196) 1.356 14.442 ( 3.123 -1.195 1.084) 3.515 ======================= Grid point 206 (102/165) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 6.495 0.000 4.554) 7.933 1.626 ( 2.940 0.000 9.996) 10.419 1.729 ( -0.514 -0.000 0.363) 0.630 2.149 ( 0.210 0.000 6.896) 6.900 2.206 ( -2.886 -0.000 -0.423) 2.917 2.426 ( 2.521 0.000 -2.795) 3.764 2.550 ( -7.532 -0.000 -1.264) 7.637 2.789 ( 12.647 0.000 3.890) 13.232 2.869 ( 2.315 0.000 -7.931) 8.262 2.969 ( 7.072 0.000 1.014) 7.145 3.214 ( 16.204 0.000 8.737) 18.409 3.539 ( 6.888 0.000 -3.240) 7.612 3.860 ( -0.083 -0.000 -1.058) 1.062 3.983 ( 2.309 0.000 1.853) 2.960 4.742 ( -7.191 -0.000 1.235) 7.297 5.137 ( -7.561 -0.000 6.210) 9.784 5.814 ( -16.879 -0.000 -1.595) 16.955 6.474 ( 6.136 0.000 2.425) 6.598 7.083 ( -9.532 -0.000 1.429) 9.638 7.566 ( 1.680 0.000 -2.850) 3.308 7.570 ( 5.693 0.000 0.861) 5.758 7.664 ( 3.523 0.000 0.195) 3.529 7.859 ( 2.747 0.000 -1.654) 3.207 8.244 ( -1.341 -0.000 -0.795) 1.559 8.818 ( -0.127 -0.000 0.877) 0.886 9.101 ( 1.432 0.000 -0.037) 1.433 10.090 ( -5.078 -0.000 -3.314) 6.064 10.627 ( -1.951 -0.000 0.167) 1.959 11.558 ( -4.204 -0.000 -0.906) 4.300 11.571 ( 4.000 0.000 -0.609) 4.046 11.984 ( 0.289 0.000 0.464) 0.547 12.055 ( 4.046 0.000 2.150) 4.581 12.261 ( -1.391 -0.000 0.721) 1.567 12.769 ( -0.944 -0.000 1.097) 1.447 12.795 ( -1.139 -0.000 0.794) 1.389 13.027 ( -0.110 -0.000 0.145) 0.182 13.038 ( -0.201 -0.000 -0.820) 0.844 13.137 ( -0.002 -0.000 -0.068) 0.068 13.253 ( 1.907 0.000 0.170) 1.915 13.777 ( -0.785 -0.000 -0.180) 0.805 14.173 ( 5.675 0.000 -0.612) 5.708 14.440 ( -4.802 -0.000 0.565) 4.835 ======================= Grid point 207 (103/165) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 1.497 1.076 3.215) 3.706 1.677 ( 0.588 1.186 1.140) 1.747 1.830 ( -1.170 -9.408 5.926) 11.180 2.115 ( -2.486 -0.703 1.674) 3.079 2.304 ( -2.377 -8.095 0.626) 8.460 2.451 ( -0.614 -0.588 -1.813) 2.002 2.475 ( -2.560 -2.210 -3.131) 4.609 2.786 ( 2.577 3.166 -6.226) 7.445 2.954 ( 3.217 -2.938 0.179) 4.361 3.083 ( 6.344 -5.032 -1.489) 8.233 3.451 ( 21.581 0.344 4.425) 22.033 3.575 ( 9.282 1.176 -4.487) 10.376 3.881 ( 3.133 -0.439 2.411) 3.978 4.035 ( 4.924 -2.448 0.504) 5.522 4.673 ( -11.622 -1.536 1.046) 11.770 5.101 ( -5.491 -0.103 4.408) 7.042 5.603 ( -21.330 1.052 -2.241) 21.473 6.513 ( 3.717 2.297 0.601) 4.411 7.054 ( -6.049 -4.586 1.288) 7.699 7.549 ( 2.051 1.406 -2.172) 3.302 7.621 ( 0.590 -1.610 -0.021) 1.715 7.736 ( 5.045 -2.096 0.396) 5.478 7.868 ( 1.625 -0.716 -3.311) 3.757 8.212 ( -1.039 1.896 -0.397) 2.198 8.796 ( -1.147 2.065 0.146) 2.366 9.114 ( 2.160 0.548 -0.194) 2.237 10.013 ( -3.672 3.218 1.157) 5.018 10.602 ( -2.223 0.568 0.317) 2.316 11.478 ( -2.125 3.732 0.763) 4.362 11.658 ( 4.571 -3.179 0.883) 5.638 11.962 ( 1.067 3.430 1.424) 3.864 12.102 ( 4.014 1.576 1.513) 4.570 12.254 ( -0.542 -0.205 0.929) 1.095 12.730 ( -0.465 2.893 0.657) 3.003 12.827 ( -0.709 -2.489 1.532) 3.007 13.006 ( -0.867 1.300 -0.649) 1.692 13.044 ( 0.412 -0.734 0.137) 0.853 13.104 ( 0.368 2.743 0.225) 2.777 13.318 ( 0.806 -4.479 0.032) 4.551 13.756 ( -1.061 1.184 0.086) 1.592 14.219 ( 6.662 1.078 -1.800) 6.984 14.373 ( -6.282 1.581 0.112) 6.479 ======================= Grid point 208 (104/165) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -0.567 1.397 1.184) 1.917 1.651 ( -0.942 1.477 -0.798) 1.925 1.935 ( -3.520 -1.880 6.613) 7.724 2.183 ( -5.778 -8.995 -3.050) 11.118 2.302 ( -3.991 1.902 -3.528) 5.657 2.461 ( 1.128 -2.479 0.375) 2.749 2.559 ( 2.347 -5.894 -2.629) 6.867 2.760 ( 0.735 -2.295 -3.454) 4.212 2.977 ( -0.720 0.247 -1.609) 1.779 3.202 ( 1.220 -6.222 -5.633) 8.481 3.520 ( 5.815 3.676 0.639) 6.909 3.703 ( 13.437 1.517 -1.282) 13.583 3.937 ( 3.191 0.009 2.976) 4.363 4.232 ( 15.403 -9.206 0.515) 17.952 4.575 ( -13.914 -1.052 0.962) 13.987 5.066 ( -4.070 2.363 2.781) 5.467 5.397 ( -13.415 -0.563 -1.817) 13.550 6.482 ( -0.478 3.073 -0.123) 3.112 7.118 ( -3.846 -7.594 0.710) 8.542 7.538 ( 1.676 0.951 -1.717) 2.581 7.642 ( -0.068 -0.853 -0.604) 1.047 7.775 ( 2.081 1.456 -0.835) 2.673 7.913 ( 0.896 -4.375 -2.830) 5.287 8.173 ( 0.179 1.174 0.321) 1.230 8.737 ( -1.649 3.096 0.078) 3.509 9.119 ( 2.025 1.022 -0.819) 2.411 9.935 ( -2.074 3.954 3.756) 5.835 10.574 ( -1.768 0.515 0.513) 1.911 11.409 ( -1.204 3.264 1.922) 3.975 11.761 ( 5.007 -2.394 1.661) 5.793 11.917 ( 1.269 4.099 1.967) 4.720 12.083 ( 1.536 4.190 0.877) 4.548 12.271 ( 1.077 -0.487 0.619) 1.334 12.684 ( 0.142 2.474 -0.072) 2.479 12.863 ( -0.478 -1.383 1.235) 1.915 12.977 ( -1.006 0.628 -0.317) 1.228 13.055 ( -0.262 0.994 0.691) 1.239 13.083 ( 1.494 -0.053 0.635) 1.625 13.394 ( -0.631 -4.377 -0.220) 4.428 13.724 ( -0.744 1.728 0.782) 2.037 14.225 ( 0.444 2.817 -2.403) 3.729 14.296 ( -0.220 1.391 -0.728) 1.585 ======================= Grid point 209 (105/165) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 0.325 1.479 0.019) 1.515 1.606 ( -2.131 1.624 -0.573) 2.740 1.946 ( -2.494 -0.210 2.669) 3.659 2.121 ( -6.904 2.736 -2.136) 7.728 2.262 ( -3.633 -0.269 -0.677) 3.705 2.523 ( -0.462 -4.223 0.316) 4.260 2.648 ( 2.947 -3.027 -2.243) 4.783 2.808 ( 1.411 -1.307 -1.390) 2.373 2.944 ( -1.552 0.230 -2.466) 2.923 3.241 ( 0.925 -1.575 -5.866) 6.144 3.523 ( 1.058 0.897 -0.840) 1.621 3.736 ( 5.519 3.004 -0.383) 6.296 3.954 ( -2.387 0.247 1.370) 2.764 4.399 ( -14.702 1.987 1.526) 14.914 4.562 ( 7.847 -6.705 2.015) 10.517 5.001 ( 1.438 1.241 1.407) 2.364 5.401 ( 7.851 -3.093 -0.463) 8.451 6.411 ( -4.628 2.412 0.386) 5.233 7.216 ( -3.189 -7.405 0.307) 8.068 7.528 ( 0.911 0.885 -1.217) 1.759 7.640 ( 0.916 1.006 -1.500) 2.025 7.768 ( 0.986 -0.368 -0.635) 1.229 7.928 ( 0.015 1.789 -1.580) 2.387 8.201 ( -0.440 -3.067 0.492) 3.137 8.676 ( -1.292 2.134 0.464) 2.537 9.111 ( 1.387 1.247 -1.244) 2.242 9.896 ( -0.943 0.766 2.831) 3.081 10.559 ( -1.118 -0.077 0.520) 1.236 11.371 ( -0.553 1.473 2.029) 2.567 11.823 ( 1.668 0.883 0.983) 2.128 11.894 ( 2.694 1.418 1.911) 3.594 12.026 ( 0.087 3.419 0.561) 3.466 12.284 ( 0.904 0.495 0.285) 1.069 12.653 ( 0.535 1.324 -0.843) 1.658 12.880 ( 0.068 -0.694 0.718) 1.001 12.960 ( -0.667 0.286 -0.488) 0.875 13.033 ( -1.037 0.764 0.878) 1.559 13.115 ( 0.859 -0.903 1.095) 1.659 13.446 ( -0.998 -3.024 -0.377) 3.207 13.695 ( -0.825 1.629 1.559) 2.401 14.133 ( -4.404 2.542 -1.487) 5.298 14.308 ( 5.522 0.846 -1.981) 5.927 ======================= Grid point 210 (106/165) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 1.780 2.143 2.029) 3.446 1.548 ( -3.633 2.353 0.970) 4.436 1.906 ( -1.579 3.147 1.416) 3.795 2.065 ( -2.382 -0.582 4.633) 5.242 2.221 ( -3.337 0.318 2.122) 3.967 2.577 ( -1.373 -3.074 0.001) 3.367 2.682 ( 1.919 1.057 -1.576) 2.698 2.783 ( 2.565 4.647 -1.479) 5.510 2.908 ( -1.750 1.879 -0.941) 2.735 3.240 ( 3.872 0.857 -4.223) 5.793 3.454 ( -3.701 5.122 -2.869) 6.940 3.734 ( 0.818 1.986 -0.152) 2.153 3.907 ( -6.915 -0.987 -0.378) 6.995 4.154 ( -13.472 9.400 3.316) 16.758 4.708 ( 2.329 -4.070 4.151) 6.263 5.078 ( 5.649 -2.327 0.856) 6.169 5.606 ( 20.244 -3.490 0.341) 20.546 6.325 ( -7.123 1.405 1.880) 7.500 7.289 ( -1.495 -3.736 0.215) 4.030 7.511 ( -0.568 0.654 -1.176) 1.461 7.621 ( 1.550 1.427 -0.985) 2.326 7.790 ( 0.775 0.254 -0.601) 1.013 7.886 ( 1.093 1.570 -0.184) 1.922 8.207 ( -2.970 1.060 0.409) 3.180 8.663 ( -0.244 -1.018 0.753) 1.289 9.095 ( 0.691 0.851 -1.279) 1.684 9.930 ( -0.966 -5.258 -0.839) 5.412 10.562 ( -0.554 -0.996 0.312) 1.181 11.373 ( -0.381 -1.198 1.023) 1.621 11.803 ( -0.932 1.412 0.506) 1.766 11.902 ( 0.909 1.309 0.064) 1.595 11.998 ( 0.094 0.298 0.593) 0.670 12.278 ( 0.358 0.926 0.333) 1.048 12.644 ( 0.598 -0.334 -1.287) 1.458 12.901 ( 0.268 -0.873 0.936) 1.307 12.950 ( 0.570 0.183 -0.735) 0.948 13.020 ( -1.972 -0.254 0.679) 2.101 13.124 ( -1.187 0.235 0.049) 1.211 13.469 ( 0.032 -0.076 0.149) 0.170 13.674 ( -1.539 0.154 1.532) 2.177 14.067 ( -2.052 0.722 -0.735) 2.296 14.343 ( 4.807 -0.167 -1.562) 5.057 ======================= Grid point 211 (107/165) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 2.804 2.628 5.926) 7.063 1.465 ( -4.232 3.449 5.166) 7.516 1.879 ( 2.546 2.600 6.696) 7.621 2.064 ( -5.892 1.894 8.256) 10.318 2.258 ( 3.916 -3.699 0.942) 5.468 2.593 ( 0.341 2.323 1.144) 2.612 2.630 ( -0.653 3.472 -0.682) 3.599 2.709 ( 3.211 6.890 -0.637) 7.628 2.849 ( 0.293 3.212 0.458) 3.258 3.230 ( 5.302 5.938 -3.426) 8.667 3.274 ( -6.079 5.825 -2.317) 8.732 3.630 ( -5.863 6.963 -0.285) 9.107 3.877 ( -5.839 -1.656 1.048) 6.160 3.965 ( -0.687 4.471 1.195) 4.679 4.806 ( 0.580 -2.468 5.345) 5.916 5.148 ( 3.852 0.220 1.794) 4.255 5.841 ( 15.216 -2.107 0.620) 15.374 6.267 ( -5.079 -0.437 3.783) 6.348 7.322 ( 3.123 0.328 0.443) 3.171 7.477 ( -3.707 0.470 -1.322) 3.964 7.620 ( 1.123 0.068 0.050) 1.126 7.744 ( -0.194 3.727 -0.919) 3.844 7.881 ( 1.537 3.380 1.339) 3.947 8.165 ( -1.691 -1.094 -0.961) 2.232 8.698 ( 0.053 -2.185 1.232) 2.509 9.085 ( 0.156 0.021 -1.185) 1.195 10.025 ( -2.326 -9.105 -4.764) 10.536 10.583 ( -0.158 -1.742 0.098) 1.752 11.410 ( -0.636 -3.449 -0.530) 3.547 11.764 ( -1.763 1.841 -0.289) 2.565 11.891 ( -1.179 -1.013 -0.908) 1.800 12.006 ( -0.650 -0.949 0.262) 1.180 12.269 ( 0.113 0.670 0.497) 0.842 12.662 ( 0.403 -2.032 -1.171) 2.380 12.909 ( -0.495 0.475 0.759) 1.023 12.970 ( 1.656 -1.245 0.097) 2.075 13.009 ( -2.457 -0.957 -0.259) 2.650 13.091 ( -1.993 0.959 -0.901) 2.388 13.445 ( 0.693 3.614 0.922) 3.794 13.688 ( -0.807 -2.360 0.783) 2.614 14.057 ( 0.244 -0.451 -0.038) 0.514 14.389 ( 2.811 -1.462 -0.529) 3.212 ======================= Grid point 212 (108/165) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -0.900 6.444 5.830) 8.737 1.511 ( 3.002 -0.095 9.933) 10.377 1.927 ( 5.491 5.722 9.338) 12.251 1.980 ( -3.879 3.490 6.375) 8.238 2.369 ( 2.831 -2.741 1.033) 4.073 2.490 ( 1.930 8.835 1.107) 9.111 2.608 ( 0.642 1.163 0.951) 1.634 2.642 ( 3.368 3.653 1.156) 5.101 2.821 ( 1.446 2.467 2.672) 3.913 3.063 ( -3.945 5.529 -1.703) 7.002 3.187 ( 7.224 11.888 1.718) 14.017 3.484 ( -2.336 1.939 -2.743) 4.091 3.863 ( -1.392 -0.648 1.154) 1.920 3.950 ( 0.605 -0.281 -0.554) 0.867 4.841 ( -1.727 0.914 4.695) 5.085 5.173 ( -0.045 0.697 3.985) 4.046 5.951 ( 2.317 -0.852 0.344) 2.492 6.295 ( 1.460 -1.804 4.970) 5.485 7.339 ( -0.370 3.008 1.401) 3.339 7.416 ( -1.151 0.109 -1.340) 1.770 7.613 ( 0.805 2.331 -0.131) 2.469 7.695 ( 0.539 1.577 -0.526) 1.748 7.830 ( 3.099 4.112 0.455) 5.170 8.202 ( -0.499 -3.893 -1.339) 4.147 8.745 ( 0.334 -2.252 1.719) 2.853 9.084 ( -0.031 -0.459 -0.955) 1.060 10.111 ( -4.173 -8.287 -7.046) 11.650 10.613 ( -0.192 -1.783 0.056) 1.794 11.461 ( -1.121 -4.181 -1.748) 4.668 11.708 ( -1.319 2.453 -1.380) 3.108 11.904 ( -2.043 -2.851 -0.604) 3.559 12.019 ( -0.564 -1.108 0.441) 1.319 12.264 ( -0.337 0.012 0.483) 0.589 12.701 ( -0.301 -2.974 -0.642) 3.057 12.883 ( -1.617 1.862 0.757) 2.580 13.003 ( 0.780 -0.927 0.009) 1.211 13.016 ( -0.507 -2.212 -0.548) 2.334 13.064 ( -0.921 -0.231 -0.557) 1.101 13.380 ( 0.856 5.384 0.758) 5.504 13.733 ( 0.041 -2.676 0.269) 2.690 14.079 ( 1.954 -0.767 0.279) 2.118 14.434 ( 0.215 -2.091 0.382) 2.136 ======================= Grid point 215 (109/165) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -0.813 -0.000 2.021) 2.178 1.696 ( -2.110 -0.000 -1.308) 2.483 1.746 ( 0.270 0.000 4.828) 4.835 2.116 ( -3.575 -0.000 -2.996) 4.664 2.176 ( -3.680 -0.000 5.141) 6.323 2.397 ( -4.079 -0.000 -3.766) 5.552 2.443 ( 1.914 0.000 -2.444) 3.104 2.774 ( -0.408 -0.000 -12.383) 12.390 2.932 ( 0.534 0.000 -1.322) 1.425 3.091 ( 1.769 0.000 -0.503) 1.839 3.625 ( 5.717 0.000 -4.472) 7.258 3.726 ( 23.295 0.000 3.117) 23.503 3.953 ( 9.716 0.000 3.825) 10.442 4.040 ( 2.754 0.000 -1.389) 3.084 4.536 ( -14.096 -0.000 0.265) 14.099 5.100 ( 1.959 0.000 3.023) 3.602 5.382 ( -21.729 -0.000 -3.185) 21.961 6.551 ( -0.244 -0.000 -1.279) 1.303 6.968 ( -4.707 -0.000 1.385) 4.906 7.568 ( 1.744 0.000 -2.832) 3.326 7.605 ( -0.150 -0.000 0.197) 0.248 7.764 ( 4.017 0.000 0.618) 4.064 7.848 ( -0.058 -0.000 -5.377) 5.377 8.218 ( -0.854 -0.000 0.558) 1.020 8.799 ( -1.607 -0.000 -0.580) 1.709 9.140 ( 2.285 0.000 -0.439) 2.327 10.025 ( -2.903 -0.000 4.942) 5.732 10.587 ( -2.140 -0.000 0.756) 2.270 11.493 ( -2.673 -0.000 2.307) 3.531 11.705 ( 8.069 0.000 2.670) 8.499 12.012 ( 0.947 0.000 2.085) 2.290 12.177 ( 5.711 0.000 1.525) 5.911 12.251 ( -0.700 -0.000 1.383) 1.550 12.780 ( 0.276 0.000 1.982) 2.002 12.786 ( -0.813 -0.000 1.073) 1.346 13.014 ( -1.189 -0.000 -0.287) 1.223 13.030 ( 0.183 0.000 -0.320) 0.369 13.127 ( -1.168 -0.000 0.372) 1.226 13.289 ( 1.384 0.000 0.001) 1.384 13.755 ( -1.228 -0.000 0.495) 1.324 14.285 ( 7.215 0.000 -2.862) 7.761 14.319 ( -7.193 -0.000 -0.341) 7.201 ======================= Grid point 216 (110/165) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -1.109 1.285 0.379) 1.739 1.650 ( -2.442 1.115 -1.266) 2.968 1.850 ( -4.275 -9.212 3.811) 10.847 2.035 ( -2.302 1.042 -2.561) 3.598 2.228 ( -4.638 -3.607 -1.683) 6.111 2.386 ( -0.331 -4.864 -1.781) 5.190 2.482 ( 1.974 -4.005 -3.168) 5.475 2.697 ( -0.956 -0.854 -10.303) 10.383 2.925 ( -3.652 -1.633 -3.184) 5.114 3.100 ( -1.230 -2.588 -3.786) 4.748 3.628 ( 3.818 2.720 -2.341) 5.240 3.839 ( 4.779 3.034 1.698) 5.910 4.011 ( 3.316 2.936 1.593) 4.707 4.217 ( 14.220 -8.309 -0.100) 16.470 4.419 ( -12.338 -2.129 0.494) 12.530 5.106 ( -5.733 3.968 -0.652) 7.003 5.255 ( 2.351 -4.882 -1.628) 5.658 6.491 ( -6.253 2.037 -1.808) 6.820 6.977 ( -3.649 -4.840 0.936) 6.133 7.559 ( 1.692 0.953 -2.127) 2.881 7.618 ( -0.285 -1.283 -0.432) 1.384 7.794 ( 0.540 0.567 -3.558) 3.643 7.839 ( 0.811 -3.346 -1.919) 3.942 8.204 ( -0.190 1.523 1.173) 1.932 8.762 ( -1.711 1.895 -0.719) 2.653 9.150 ( 1.871 0.787 -1.035) 2.279 10.007 ( -1.871 3.044 6.624) 7.527 10.572 ( -1.214 0.521 1.316) 1.865 11.467 ( -0.807 2.667 3.467) 4.448 11.811 ( 7.466 -0.784 3.609) 8.330 12.006 ( 1.042 3.117 2.729) 4.272 12.183 ( 2.303 4.540 1.171) 5.224 12.279 ( 1.939 -1.124 1.095) 2.495 12.736 ( 0.173 3.258 0.946) 3.397 12.838 ( 0.062 -2.318 1.596) 2.815 12.981 ( -1.293 1.281 -0.266) 1.840 13.050 ( -0.249 -1.197 0.539) 1.337 13.104 ( -0.487 1.114 0.461) 1.300 13.325 ( -0.122 -2.929 -0.200) 2.938 13.743 ( -0.725 0.768 1.207) 1.604 14.227 ( -6.214 2.221 -1.122) 6.694 14.332 ( 5.908 0.314 -3.421) 6.834 ======================= Grid point 217 (111/165) ======================= q-point: (-0.50 -0.75 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 0.743 0.685 -0.829) 1.307 1.597 ( -3.282 1.113 -1.110) 3.639 1.930 ( -5.005 -2.535 4.019) 6.901 2.030 ( -1.618 -3.609 -3.577) 5.333 2.208 ( -2.139 -1.738 -3.603) 4.536 2.433 ( -2.669 -3.353 -3.093) 5.285 2.591 ( 2.767 -6.849 -2.563) 7.819 2.728 ( 0.321 -7.096 -2.949) 7.691 2.882 ( -4.987 -1.109 -4.460) 6.782 3.124 ( -2.080 -5.539 -6.164) 8.544 3.585 ( 1.199 4.326 0.086) 4.490 3.826 ( 3.149 1.875 -2.539) 4.458 3.947 ( -6.419 4.008 1.907) 7.804 4.306 ( -8.291 -0.644 1.469) 8.445 4.503 ( 5.109 -7.123 0.867) 8.808 4.999 ( -4.157 -1.161 -0.649) 4.365 5.460 ( 19.750 -4.763 -1.479) 20.370 6.366 ( -11.064 1.342 -1.039) 11.194 7.051 ( -3.574 -7.472 0.477) 8.297 7.549 ( 1.382 1.076 -1.552) 2.340 7.631 ( 0.279 -1.032 -1.601) 1.925 7.762 ( -0.356 -0.083 -3.663) 3.681 7.908 ( 0.481 -3.422 -0.277) 3.466 8.186 ( 0.231 0.928 1.299) 1.613 8.705 ( -1.303 2.562 -0.342) 2.895 9.140 ( 1.295 1.347 -1.411) 2.341 9.963 ( -0.623 4.555 5.808) 7.407 10.559 ( -0.555 0.787 1.331) 1.643 11.432 ( 0.422 3.560 3.666) 5.128 11.886 ( 4.117 1.779 2.920) 5.351 11.973 ( 1.691 3.392 2.944) 4.800 12.115 ( 1.140 5.742 0.845) 5.914 12.307 ( 1.447 0.372 0.511) 1.579 12.690 ( 0.474 2.894 -0.045) 2.933 12.873 ( 0.401 -1.027 0.611) 1.261 12.958 ( -0.660 0.256 0.348) 0.789 13.043 ( -1.498 1.155 0.996) 2.138 13.109 ( 0.135 -0.852 0.472) 0.983 13.374 ( -0.997 -3.740 -0.246) 3.879 13.729 ( -0.237 1.534 1.884) 2.441 14.125 ( -4.497 2.457 -1.335) 5.296 14.355 ( 4.526 0.610 -3.536) 5.776 ======================= Grid point 218 (112/165) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 2.769 0.085 0.012) 2.770 1.540 ( -3.987 0.906 -0.040) 4.089 1.928 ( -1.250 -0.056 2.975) 3.228 2.061 ( 1.141 -1.977 0.705) 2.389 2.193 ( -2.800 -0.362 -0.614) 2.889 2.476 ( -2.411 -5.940 -0.600) 6.439 2.690 ( 2.445 -3.327 -1.982) 4.579 2.821 ( 1.040 -1.170 -1.779) 2.370 2.839 ( -4.614 -3.969 -3.874) 7.215 3.177 ( -0.447 -6.462 -6.739) 9.347 3.508 ( -0.182 6.251 -1.562) 6.446 3.783 ( -1.452 3.243 -2.608) 4.408 3.834 ( -6.115 1.110 1.835) 6.480 4.211 ( -5.023 5.297 2.674) 7.774 4.629 ( -1.343 -6.357 1.989) 6.795 5.068 ( 3.633 -5.250 0.344) 6.393 5.721 ( 16.226 -4.741 -1.084) 16.939 6.245 ( -11.033 -0.710 0.638) 11.074 7.152 ( -2.988 -8.015 0.184) 8.556 7.529 ( 0.678 1.646 -1.248) 2.174 7.637 ( 0.943 -0.013 -2.514) 2.685 7.769 ( 0.471 -2.512 -1.420) 2.924 7.928 ( 0.433 1.390 -0.325) 1.492 8.196 ( -0.379 -0.614 1.482) 1.648 8.661 ( -0.524 1.153 0.065) 1.268 9.118 ( 0.816 1.543 -1.432) 2.258 9.917 ( 0.193 3.206 3.029) 4.415 10.552 ( -0.313 0.203 0.819) 0.899 11.400 ( 0.650 2.815 2.748) 3.988 11.859 ( 0.747 4.352 1.904) 4.809 11.954 ( 0.474 3.288 1.311) 3.571 12.046 ( 1.366 3.899 0.939) 4.237 12.304 ( 0.599 1.158 0.221) 1.322 12.653 ( 0.517 1.637 -0.979) 1.976 12.895 ( 0.526 -0.905 0.328) 1.097 12.959 ( 0.789 0.070 0.433) 0.903 13.012 ( -1.622 1.195 1.101) 2.296 13.111 ( -1.642 0.010 -0.382) 1.686 13.428 ( -0.535 -3.685 -0.096) 3.725 13.704 ( -0.256 2.424 2.131) 3.238 14.060 ( -1.323 0.944 -0.946) 1.881 14.365 ( 2.340 0.017 -2.876) 3.708 ======================= Grid point 219 (113/165) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -2.288 0.819 3.509) 4.269 1.507 ( 2.322 0.232 1.059) 2.563 1.958 ( 1.837 0.028 5.850) 6.132 2.108 ( 1.512 1.192 5.717) 6.033 2.206 ( -0.267 -4.833 0.812) 4.908 2.546 ( -1.323 -3.632 1.218) 4.052 2.720 ( 2.512 1.824 -0.263) 3.115 2.819 ( 1.301 0.615 -4.052) 4.300 2.827 ( -2.104 -0.924 -2.586) 3.459 3.246 ( 0.664 -3.846 -6.051) 7.201 3.339 ( -0.144 8.895 -2.811) 9.330 3.726 ( -1.542 6.157 0.080) 6.347 3.781 ( -2.986 -2.748 0.632) 4.107 4.090 ( 0.785 7.603 2.708) 8.109 4.732 ( -3.584 -6.642 3.960) 8.523 5.178 ( 3.504 -2.351 0.265) 4.228 5.865 ( -3.016 -4.590 -0.015) 5.492 6.219 ( -0.181 -2.343 2.268) 3.266 7.257 ( -1.108 -6.741 0.230) 6.836 7.493 ( 0.469 2.554 -1.289) 2.899 7.628 ( 0.517 0.176 -1.543) 1.637 7.800 ( 0.330 1.396 0.411) 1.492 7.910 ( 1.414 -0.889 -1.448) 2.211 8.183 ( 0.254 3.178 1.401) 3.482 8.664 ( -0.270 -1.753 0.390) 1.816 9.094 ( 0.635 1.165 -1.306) 1.862 9.904 ( -0.407 -1.052 -0.564) 1.261 10.558 ( -0.128 -0.941 0.348) 1.011 11.385 ( 0.080 0.644 1.124) 1.298 11.805 ( 0.278 3.601 1.193) 3.803 11.890 ( -1.546 2.900 -0.287) 3.299 12.016 ( 0.390 1.725 0.579) 1.861 12.289 ( 0.315 1.153 0.135) 1.203 12.640 ( 0.527 -0.241 -1.252) 1.379 12.914 ( 0.164 -0.503 0.465) 0.704 12.968 ( 0.032 0.138 0.258) 0.295 12.992 ( 0.224 0.384 1.031) 1.122 13.078 ( -2.289 0.672 -1.222) 2.680 13.473 ( 0.173 -1.411 0.123) 1.427 13.678 ( -0.003 1.191 1.735) 2.104 14.055 ( 1.401 -0.463 -0.546) 1.573 14.373 ( -0.221 -1.228 -1.674) 2.088 ======================= Grid point 220 (114/165) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -2.204 2.516 3.703) 4.990 1.569 ( 3.673 -1.137 3.448) 5.164 1.991 ( -2.736 0.545 6.372) 6.956 2.142 ( 6.792 3.619 8.524) 11.484 2.323 ( 1.880 -5.893 0.486) 6.205 2.566 ( -4.055 -0.920 0.306) 4.170 2.662 ( 2.120 7.653 -1.307) 8.048 2.761 ( 1.173 2.582 -0.885) 2.971 2.863 ( 4.397 -1.150 -1.702) 4.853 3.144 ( 2.696 6.646 -1.537) 7.335 3.365 ( 7.955 -2.119 -4.117) 9.204 3.544 ( -1.952 11.651 -0.043) 11.813 3.831 ( -0.528 -2.780 1.076) 3.027 4.021 ( 4.896 5.357 1.766) 7.469 4.802 ( -6.142 -3.896 5.039) 8.848 5.199 ( -1.415 1.129 0.847) 1.998 5.852 ( -13.836 -4.896 0.268) 14.679 6.307 ( 4.795 -2.596 3.046) 6.245 7.319 ( -3.929 -0.494 0.772) 4.034 7.457 ( 3.636 1.324 -1.199) 4.051 7.633 ( 0.511 -0.828 -0.663) 1.178 7.744 ( 0.229 3.858 0.362) 3.882 7.938 ( 3.107 1.947 -0.717) 3.736 8.148 ( 0.919 0.488 -0.468) 1.141 8.706 ( -0.493 -2.988 0.895) 3.158 9.082 ( 0.839 0.316 -1.083) 1.406 9.934 ( -2.167 -4.816 -2.807) 5.981 10.581 ( -0.232 -1.629 0.175) 1.655 11.393 ( -0.786 -1.805 -0.245) 1.984 11.752 ( 0.457 3.740 0.005) 3.768 11.852 ( -1.604 -0.740 0.069) 1.768 12.007 ( 0.258 -0.384 0.269) 0.536 12.274 ( -0.063 0.940 0.156) 0.955 12.656 ( 0.200 -1.784 -0.949) 2.031 12.904 ( -1.442 1.437 0.927) 2.237 12.971 ( 0.400 -1.074 -0.361) 1.201 13.014 ( 1.455 -0.622 0.762) 1.756 13.047 ( -1.111 0.059 -0.759) 1.346 13.464 ( 0.466 3.013 0.329) 3.066 13.693 ( 0.062 -1.915 0.761) 2.061 14.089 ( 3.412 -1.036 -0.589) 3.614 14.384 ( -2.714 -2.396 -0.481) 3.652 ======================= Grid point 224 (115/165) ======================= q-point: (-0.62 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -1.063 -0.000 -0.556) 1.200 1.626 ( -3.495 -0.000 -1.230) 3.705 1.702 ( -7.308 -0.000 0.168) 7.309 2.053 ( 0.308 0.000 -2.051) 2.074 2.132 ( -2.206 -0.000 -0.965) 2.408 2.329 ( -0.676 -0.000 -2.073) 2.180 2.429 ( 0.281 0.000 -6.399) 6.405 2.607 ( -0.750 -0.000 -14.120) 14.140 2.845 ( -6.506 -0.000 -2.283) 6.895 3.038 ( -3.485 -0.000 -3.121) 4.679 3.661 ( 2.628 0.000 -3.461) 4.346 3.886 ( -5.917 -0.000 6.974) 9.145 4.030 ( -1.150 -0.000 -5.125) 5.252 4.291 ( -8.711 -0.000 1.002) 8.768 4.320 ( 16.499 0.000 1.802) 16.597 4.992 ( -13.719 -0.000 -3.577) 14.178 5.363 ( 22.129 0.000 -1.855) 22.207 6.400 ( -13.594 -0.000 -2.039) 13.746 6.911 ( -2.557 -0.000 0.919) 2.718 7.575 ( 2.044 0.000 -2.693) 3.381 7.599 ( -0.462 -0.000 0.137) 0.481 7.764 ( -1.264 -0.000 -6.251) 6.378 7.817 ( 1.195 0.000 0.394) 1.258 8.225 ( 0.178 0.000 1.622) 1.631 8.757 ( -1.419 -0.000 -1.111) 1.802 9.166 ( 1.285 0.000 -1.453) 1.940 10.057 ( -0.931 -0.000 6.971) 7.033 10.583 ( 0.246 0.000 2.435) 2.447 11.509 ( 0.391 0.000 4.328) 4.346 11.903 ( 7.119 0.000 4.876) 8.629 12.057 ( 0.635 0.000 3.129) 3.193 12.266 ( 0.386 0.000 1.905) 1.944 12.281 ( 3.313 0.000 0.617) 3.370 12.787 ( -0.243 -0.000 1.066) 1.093 12.818 ( 1.206 0.000 1.917) 2.265 12.977 ( -2.088 -0.000 -0.248) 2.103 13.038 ( 0.218 0.000 0.785) 0.815 13.108 ( -0.899 -0.000 0.653) 1.111 13.298 ( -0.194 -0.000 -0.365) 0.414 13.752 ( -0.285 -0.000 1.780) 1.802 14.179 ( -5.781 -0.000 -1.235) 5.911 14.367 ( 4.730 0.000 -4.469) 6.507 ======================= Grid point 225 (116/165) ======================= q-point: (-0.50 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -0.039 0.220 -1.433) 1.450 1.573 ( -3.731 0.999 -1.133) 4.025 1.730 ( -7.847 -10.821 0.018) 13.367 2.030 ( 2.275 1.387 -0.897) 2.811 2.142 ( -0.780 -2.088 -2.967) 3.711 2.327 ( -2.424 -2.547 -6.895) 7.740 2.439 ( -0.869 -7.745 -9.207) 12.063 2.594 ( 0.794 -5.830 -5.520) 8.068 2.782 ( -6.496 -1.541 -1.730) 6.897 3.000 ( -4.340 -2.248 -3.331) 5.915 3.653 ( 1.761 1.923 -1.219) 2.879 3.832 ( -5.411 1.275 2.830) 6.238 3.963 ( -4.702 2.870 -1.925) 5.835 4.244 ( -2.767 -0.672 0.578) 2.905 4.486 ( 7.881 -2.435 0.829) 8.291 4.894 ( -5.769 -3.319 -2.324) 7.050 5.577 ( 16.784 -2.847 -2.796) 17.252 6.238 ( -15.200 0.207 -0.807) 15.223 6.930 ( -1.834 -4.031 0.645) 4.475 7.571 ( 1.584 0.885 -1.805) 2.559 7.607 ( 0.207 -1.042 -1.097) 1.527 7.725 ( -0.879 -0.417 -4.838) 4.935 7.853 ( 0.360 -2.989 0.212) 3.018 8.224 ( 0.686 1.495 1.539) 2.253 8.727 ( -0.713 1.571 -0.987) 1.988 9.160 ( 0.686 0.764 -1.621) 1.919 10.064 ( 0.883 3.054 5.749) 6.570 10.592 ( 0.936 1.467 2.588) 3.118 11.518 ( 1.334 2.738 4.319) 5.284 11.978 ( 4.372 1.458 4.473) 6.422 12.054 ( 0.405 2.748 3.161) 4.208 12.228 ( 1.195 5.035 1.515) 5.392 12.320 ( 0.498 -0.521 0.659) 0.977 12.752 ( 0.419 3.493 0.733) 3.594 12.860 ( 0.817 -1.451 0.339) 1.699 12.958 ( -0.946 -0.080 1.011) 1.386 13.047 ( -0.876 -0.014 1.239) 1.517 13.104 ( 0.037 0.232 0.307) 0.387 13.312 ( -0.738 -2.311 -0.269) 2.441 13.758 ( 0.263 0.640 2.171) 2.279 14.112 ( -3.456 1.439 -1.390) 3.993 14.374 ( 2.129 0.231 -4.497) 4.981 ======================= Grid point 226 (117/165) ======================= q-point: (-0.38 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -0.274 -1.635 -1.114) 1.998 1.515 ( -2.784 1.038 -0.361) 2.993 1.857 ( -3.616 -9.258 1.627) 10.072 2.044 ( 1.658 -0.655 0.117) 1.786 2.165 ( 2.175 -1.394 -2.473) 3.577 2.329 ( -1.951 -6.961 -5.080) 8.835 2.541 ( -2.972 -10.829 -7.918) 13.740 2.709 ( -1.056 -6.027 -1.725) 6.358 2.764 ( -2.062 -3.724 0.421) 4.277 3.005 ( -3.257 -6.076 -5.543) 8.846 3.617 ( 2.581 4.769 -0.145) 5.425 3.784 ( -5.173 1.129 -0.132) 5.296 3.842 ( -2.087 4.296 0.575) 4.810 4.240 ( -0.778 0.251 1.137) 1.401 4.552 ( 0.779 -1.889 0.240) 2.058 4.980 ( 2.585 -8.104 -0.909) 8.554 5.685 ( -8.506 -5.238 -1.342) 10.079 6.156 ( -0.692 -1.178 0.451) 1.439 7.010 ( -0.689 -6.599 0.369) 6.645 7.556 ( 0.865 1.379 -1.197) 2.020 7.622 ( 1.215 -0.888 -2.693) 3.085 7.717 ( -0.410 -2.090 -2.494) 3.279 7.910 ( -0.372 -2.990 0.058) 3.014 8.214 ( 1.101 1.297 1.332) 2.161 8.687 ( 0.070 2.115 -0.597) 2.199 9.139 ( 0.298 1.213 -1.498) 1.950 10.036 ( 2.845 5.644 4.042) 7.502 10.579 ( 0.693 2.176 1.636) 2.809 11.492 ( 1.318 4.430 3.434) 5.758 11.965 ( 1.083 5.233 3.010) 6.134 12.023 ( -0.213 3.258 2.417) 4.062 12.148 ( 0.486 6.061 1.110) 6.181 12.321 ( -0.481 0.410 0.356) 0.725 12.698 ( 0.495 3.435 -0.362) 3.490 12.882 ( 0.509 -0.973 -0.675) 1.289 12.974 ( 0.879 -0.276 2.309) 2.486 13.034 ( -0.292 1.269 1.175) 1.753 13.094 ( -1.272 0.470 -0.675) 1.515 13.357 ( -0.644 -3.824 0.036) 3.878 13.754 ( 0.458 1.823 2.167) 2.869 14.064 ( -0.119 1.052 -1.065) 1.502 14.355 ( -0.711 -0.034 -3.741) 3.808 ======================= Grid point 227 (118/165) ======================= q-point: (-0.25 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -4.749 -1.097 0.835) 4.945 1.522 ( 2.590 -1.523 0.601) 3.064 1.971 ( 0.591 -4.616 2.712) 5.386 2.069 ( -4.396 -3.569 0.918) 5.736 2.212 ( 7.162 -0.570 1.647) 7.371 2.462 ( 0.414 -7.609 1.447) 7.756 2.632 ( -4.823 -9.124 -6.817) 12.369 2.731 ( -0.402 -2.452 0.600) 2.557 2.834 ( 0.874 -1.792 -2.476) 3.179 3.089 ( -0.616 -9.608 -6.361) 11.540 3.507 ( 1.409 9.305 -1.930) 9.607 3.735 ( 1.671 0.783 1.559) 2.415 3.803 ( -0.919 1.677 0.902) 2.114 4.226 ( 3.493 3.871 1.969) 5.573 4.609 ( -2.047 -4.994 1.932) 5.732 5.130 ( 1.829 -6.121 -1.310) 6.521 5.618 ( -23.354 -8.014 1.019) 24.712 6.230 ( 6.073 -1.985 1.334) 6.527 7.135 ( 1.131 -7.691 0.288) 7.779 7.531 ( 0.902 1.859 -1.134) 2.357 7.623 ( 0.403 0.064 -2.299) 2.335 7.765 ( 0.643 -4.337 -1.277) 4.566 7.918 ( -0.980 1.258 -0.373) 1.638 8.227 ( 1.498 -0.220 1.213) 1.940 8.658 ( 0.291 1.108 -0.210) 1.164 9.113 ( 0.273 1.249 -1.310) 1.830 9.978 ( 3.326 6.702 1.837) 7.704 10.562 ( 0.377 1.022 0.658) 1.273 11.440 ( 0.519 4.301 1.930) 4.743 11.893 ( 0.212 5.247 2.118) 5.663 11.949 ( -1.355 5.258 0.619) 5.464 12.064 ( -1.102 3.895 0.652) 4.100 12.307 ( -0.357 0.814 0.055) 0.890 12.654 ( 0.782 1.904 -1.043) 2.307 12.899 ( 0.031 -0.956 -0.436) 1.052 12.990 ( 0.342 0.907 2.246) 2.446 13.025 ( 1.903 1.330 0.787) 2.452 13.059 ( -1.970 0.605 -1.216) 2.393 13.421 ( -0.314 -4.129 0.118) 4.143 13.729 ( 0.438 2.803 1.779) 3.348 14.066 ( 2.817 -0.139 -0.803) 2.933 14.327 ( -3.219 -0.942 -2.427) 4.140 ======================= Grid point 228 (119/165) ======================= q-point: (-0.12 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -3.510 -0.685 1.815) 4.010 1.580 ( 1.845 -1.927 0.938) 2.828 2.005 ( -2.619 0.933 3.683) 4.614 2.144 ( -2.505 -8.796 0.373) 9.153 2.334 ( 9.343 -0.912 4.950) 10.612 2.494 ( -8.053 -0.770 1.161) 8.173 2.716 ( -0.368 -4.876 -3.367) 5.937 2.773 ( 1.544 1.708 -0.202) 2.311 2.848 ( 3.773 -3.299 -2.767) 5.725 3.191 ( 1.900 -4.433 -5.085) 7.008 3.419 ( 7.783 3.183 -2.160) 8.682 3.698 ( -1.153 6.286 0.692) 6.428 3.820 ( 5.133 -0.723 1.929) 5.531 4.211 ( 9.602 6.634 2.149) 11.867 4.679 ( -5.857 -5.368 3.668) 8.751 5.163 ( -6.805 -1.665 -0.727) 7.044 5.558 ( -19.507 -8.990 0.959) 21.500 6.326 ( 4.063 -2.449 2.225) 5.240 7.266 ( 1.171 -4.978 0.519) 5.140 7.503 ( 1.661 1.898 -1.020) 2.721 7.614 ( -0.230 -0.477 -1.107) 1.227 7.801 ( -0.973 2.005 0.707) 2.338 7.903 ( 0.616 -3.340 -2.680) 4.327 8.231 ( 2.227 3.231 0.791) 4.003 8.661 ( -0.400 -1.514 0.299) 1.594 9.093 ( 0.703 0.712 -1.224) 1.581 9.913 ( 1.455 3.884 0.047) 4.148 10.563 ( 0.206 -0.469 0.284) 0.585 11.391 ( -0.501 2.140 0.637) 2.288 11.829 ( 0.392 3.916 0.892) 4.036 11.859 ( -1.220 3.327 0.505) 3.580 12.012 ( -0.916 1.193 0.246) 1.524 12.288 ( -0.385 0.899 -0.191) 0.996 12.640 ( 0.779 0.060 -1.133) 1.376 12.901 ( -1.242 0.012 0.106) 1.246 12.989 ( 1.089 0.978 1.591) 2.162 13.011 ( -0.575 0.129 -1.617) 1.720 13.054 ( 1.653 0.429 1.398) 2.207 13.475 ( -0.049 -1.972 -0.051) 1.973 13.697 ( -0.043 1.751 1.214) 2.131 14.107 ( 4.716 -0.871 -1.233) 4.952 14.303 ( -4.887 -2.136 -0.990) 5.424 ======================= Grid point 233 (120/165) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -2.213 -0.000 -2.329) 3.213 1.531 ( -8.879 -0.000 -0.161) 8.881 1.554 ( -2.169 -0.000 -0.319) 2.193 2.053 ( 0.580 0.000 -0.831) 1.013 2.107 ( 2.590 0.000 -3.675) 4.496 2.254 ( -4.955 -0.000 -4.211) 6.502 2.273 ( -0.191 -0.000 -18.116) 18.117 2.520 ( 1.150 0.000 -4.495) 4.639 2.708 ( -5.119 -0.000 1.736) 5.406 2.924 ( -5.488 -0.000 -0.930) 5.566 3.671 ( 1.971 0.000 -2.976) 3.569 3.814 ( -7.364 -0.000 7.906) 10.804 3.932 ( -1.606 -0.000 -3.458) 3.812 4.232 ( 0.536 0.000 -0.232) 0.584 4.558 ( 7.346 0.000 -0.077) 7.347 4.800 ( -2.159 -0.000 -2.578) 3.362 5.585 ( -10.510 -0.000 -1.982) 10.695 6.141 ( -1.090 -0.000 -0.034) 1.091 6.890 ( -0.339 -0.000 0.624) 0.710 7.588 ( 2.340 0.000 -2.882) 3.712 7.592 ( -0.506 -0.000 0.323) 0.600 7.690 ( -0.299 -0.000 -4.422) 4.433 7.830 ( -0.124 -0.000 0.218) 0.250 8.254 ( 1.155 0.000 1.295) 1.735 8.731 ( 0.019 0.000 -1.178) 1.178 9.162 ( 0.216 0.000 -1.584) 1.598 10.134 ( 3.027 0.000 3.974) 4.996 10.637 ( 1.790 0.000 2.919) 3.425 11.581 ( 1.800 0.000 3.854) 4.253 12.048 ( 1.966 0.000 4.336) 4.762 12.098 ( 0.217 0.000 2.939) 2.947 12.298 ( 0.419 0.000 1.963) 2.008 12.306 ( -1.673 -0.000 0.840) 1.872 12.799 ( 0.365 0.000 0.781) 0.862 12.853 ( 0.832 0.000 -0.083) 0.837 12.947 ( -0.779 -0.000 1.343) 1.553 13.050 ( -0.066 -0.000 1.413) 1.415 13.115 ( 0.599 0.000 0.469) 0.761 13.283 ( -0.756 -0.000 -0.288) 0.809 13.780 ( 0.728 0.000 2.238) 2.353 14.093 ( -1.152 -0.000 -1.245) 1.696 14.356 ( -0.909 -0.000 -4.627) 4.715 ======================= Grid point 234 (121/165) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -5.321 -1.255 -1.814) 5.760 1.514 ( -2.010 -0.461 0.113) 2.065 1.602 ( -5.785 -12.651 1.853) 14.034 2.060 ( 1.028 0.278 -1.390) 1.751 2.147 ( 3.412 -3.271 -2.723) 5.455 2.194 ( 0.633 -3.139 -7.386) 8.050 2.271 ( -3.011 -9.143 -10.399) 14.171 2.577 ( 0.704 -7.019 -2.669) 7.543 2.699 ( -4.044 -1.840 4.140) 6.073 2.885 ( -4.198 -1.949 -1.441) 4.848 3.682 ( 1.988 -1.018 -2.553) 3.392 3.756 ( -4.291 3.595 3.929) 6.839 3.906 ( -0.568 2.163 1.828) 2.888 4.247 ( 3.452 0.028 -0.390) 3.474 4.577 ( 2.188 1.726 -1.307) 3.078 4.867 ( 3.773 -7.108 -1.798) 8.246 5.399 ( -29.403 -4.136 1.039) 29.711 6.192 ( 7.367 -0.285 0.512) 7.390 6.928 ( 0.996 -3.719 0.523) 3.885 7.577 ( 0.516 0.980 -0.826) 1.381 7.608 ( 1.473 -0.902 -1.840) 2.524 7.674 ( 0.140 -0.881 -3.309) 3.427 7.852 ( -0.731 -2.800 0.222) 2.903 8.259 ( 1.365 1.542 0.842) 2.224 8.716 ( 0.576 1.312 -0.952) 1.721 9.149 ( 0.061 0.710 -1.339) 1.517 10.168 ( 5.259 2.925 2.351) 6.461 10.645 ( 1.527 2.653 1.882) 3.593 11.589 ( 1.575 3.116 2.730) 4.432 12.056 ( -1.177 2.058 2.907) 3.751 12.081 ( -0.461 3.488 2.444) 4.284 12.244 ( -2.075 4.689 1.276) 5.284 12.312 ( -1.344 -0.425 1.095) 1.785 12.764 ( 0.273 3.827 0.286) 3.847 12.869 ( 0.759 -0.936 -0.904) 1.506 12.976 ( 0.422 -1.761 2.229) 2.872 13.054 ( 0.391 0.563 1.249) 1.425 13.107 ( 0.176 1.559 -0.224) 1.585 13.297 ( -0.725 -2.477 0.058) 2.582 13.793 ( 0.873 0.809 1.959) 2.293 14.083 ( 1.986 0.797 -0.785) 2.280 14.311 ( -3.723 -0.185 -3.858) 5.365 ======================= Grid point 235 (122/165) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -6.463 -3.127 0.214) 7.183 1.519 ( 0.414 -1.167 1.033) 1.612 1.789 ( -6.560 -12.645 2.645) 14.489 2.045 ( 0.696 0.406 -1.987) 2.144 2.257 ( 6.791 -4.160 -0.441) 7.976 2.306 ( 3.146 -10.676 -1.358) 11.212 2.388 ( -3.076 -10.769 -4.522) 12.078 2.666 ( -3.123 -4.468 2.280) 5.909 2.756 ( -0.225 -6.362 -0.764) 6.411 2.906 ( -1.628 -6.221 -3.100) 7.139 3.633 ( -1.325 7.432 0.313) 7.555 3.732 ( -0.223 -3.128 -2.150) 3.802 3.872 ( 1.414 3.572 5.178) 6.447 4.303 ( 7.129 -0.398 0.798) 7.185 4.570 ( -1.119 -0.954 -0.278) 1.496 5.005 ( -2.586 -6.696 -1.600) 7.355 5.246 ( -21.164 -8.412 2.682) 22.932 6.264 ( 3.727 -0.913 1.866) 4.267 7.034 ( 2.383 -6.556 0.493) 6.993 7.559 ( 0.610 1.267 -0.902) 1.671 7.618 ( 0.890 0.044 -2.005) 2.194 7.698 ( 0.976 -3.205 -2.141) 3.976 7.894 ( -1.604 -2.632 0.367) 3.104 8.247 ( 0.942 1.248 0.372) 1.607 8.691 ( 0.784 1.933 -0.481) 2.140 9.127 ( 0.040 1.114 -1.097) 1.563 10.155 ( 6.239 6.760 0.855) 9.239 10.608 ( 0.697 3.310 0.607) 3.436 11.540 ( 0.722 5.302 1.369) 5.523 11.985 ( -3.036 4.527 1.275) 5.598 12.019 ( -1.539 4.478 1.886) 5.096 12.132 ( -2.331 5.845 0.414) 6.306 12.308 ( -1.349 0.059 0.594) 1.475 12.704 ( 0.641 3.559 -0.491) 3.649 12.887 ( 0.811 -0.691 -0.577) 1.212 13.008 ( -0.221 -0.367 1.343) 1.410 13.051 ( -0.341 1.230 0.202) 1.292 13.079 ( 1.627 1.487 0.548) 2.272 13.347 ( -0.553 -4.083 0.380) 4.137 13.785 ( 0.422 2.171 1.364) 2.598 14.100 ( 4.463 0.537 -0.678) 4.546 14.257 ( -5.244 -0.798 -2.306) 5.784 ======================= Grid point 236 (123/165) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -4.427 -3.295 1.203) 5.648 1.559 ( -0.163 -2.174 1.087) 2.436 1.909 ( -7.034 -9.187 1.052) 11.618 2.049 ( 1.769 0.037 0.348) 1.804 2.372 ( -5.085 -3.488 0.885) 6.229 2.428 ( 3.788 -2.340 3.076) 5.412 2.565 ( 2.234 -11.930 -0.100) 12.138 2.753 ( 0.826 -4.328 -0.442) 4.428 2.809 ( 0.081 -3.046 -1.763) 3.521 3.048 ( 2.382 -10.919 -3.676) 11.765 3.508 ( -0.580 4.514 -0.391) 4.568 3.750 ( -0.458 0.537 -0.522) 0.877 3.889 ( 3.867 0.439 3.488) 5.226 4.400 ( 11.959 0.940 1.968) 12.156 4.568 ( -9.492 -3.812 1.482) 10.336 4.992 ( -11.854 -3.596 1.412) 12.468 5.304 ( -2.428 -7.353 0.243) 7.747 6.322 ( 0.668 -2.321 2.852) 3.737 7.183 ( 2.834 -7.308 0.665) 7.866 7.538 ( 0.984 1.393 -1.142) 2.053 7.608 ( 0.000 0.534 -1.020) 1.151 7.763 ( 0.871 -4.176 -1.843) 4.647 7.891 ( -1.621 1.082 0.313) 1.974 8.251 ( -0.214 -1.015 0.023) 1.038 8.667 ( 0.603 1.528 0.142) 1.648 9.104 ( 0.180 0.912 -1.057) 1.408 10.065 ( 4.134 9.823 -0.619) 10.676 10.575 ( 0.491 1.320 0.181) 1.420 11.454 ( -0.428 5.252 0.348) 5.281 11.888 ( -2.598 3.887 0.241) 4.682 11.924 ( -1.771 4.780 0.958) 5.187 12.039 ( -1.070 3.417 0.319) 3.595 12.291 ( -1.290 0.440 0.006) 1.363 12.660 ( 0.909 2.010 -1.056) 2.446 12.897 ( 0.066 0.041 0.185) 0.200 12.994 ( -1.357 0.720 -1.544) 2.178 13.027 ( 0.691 1.108 1.024) 1.660 13.094 ( 2.074 0.590 1.829) 2.828 13.418 ( -0.171 -4.268 0.394) 4.289 13.744 ( -0.723 3.063 0.836) 3.257 14.134 ( 3.478 -0.286 -1.879) 3.963 14.223 ( -3.073 -1.349 -0.180) 3.361 ======================= Grid point 242 (124/165) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -8.138 -0.000 -0.357) 8.146 1.371 ( -9.950 -0.000 4.330) 10.851 1.544 ( 0.157 0.000 0.666) 0.684 2.043 ( 0.950 0.000 -2.717) 2.878 2.066 ( -5.893 -0.000 -2.246) 6.307 2.169 ( 6.614 0.000 -10.453) 12.370 2.189 ( 6.078 0.000 -1.507) 6.262 2.508 ( 1.318 0.000 -2.813) 3.106 2.665 ( -6.905 -0.000 7.688) 10.334 2.832 ( -2.799 -0.000 -0.294) 2.815 3.644 ( -0.992 -0.000 -3.996) 4.117 3.822 ( -0.786 -0.000 8.754) 8.789 3.918 ( 0.550 0.000 -0.099) 0.559 4.309 ( 8.573 0.000 -0.587) 8.593 4.537 ( -13.779 -0.000 -3.301) 14.169 4.867 ( 11.218 0.000 -0.810) 11.247 5.088 ( -25.116 -0.000 3.476) 25.356 6.258 ( 4.283 0.000 1.812) 4.651 6.914 ( 2.121 0.000 0.581) 2.199 7.588 ( -0.367 -0.000 0.580) 0.686 7.603 ( 1.597 0.000 -1.629) 2.281 7.655 ( 1.327 0.000 -4.106) 4.315 7.819 ( -1.366 -0.000 0.270) 1.392 8.289 ( 1.260 0.000 0.276) 1.290 8.729 ( 0.714 0.000 -0.804) 1.076 9.150 ( 0.159 0.000 -1.108) 1.119 10.259 ( 6.983 0.000 0.570) 7.007 10.694 ( 1.529 0.000 0.747) 1.702 11.643 ( 1.530 0.000 1.296) 2.005 12.047 ( -5.678 -0.000 1.338) 5.834 12.129 ( 0.139 0.000 2.043) 2.047 12.249 ( -4.907 -0.000 1.773) 5.217 12.311 ( -0.891 -0.000 1.074) 1.396 12.814 ( 0.423 0.000 0.390) 0.576 12.855 ( 0.352 0.000 -0.242) 0.427 12.974 ( 0.949 0.000 1.510) 1.783 13.072 ( 0.717 0.000 1.058) 1.278 13.123 ( 0.094 0.000 -0.397) 0.408 13.267 ( -0.901 -0.000 0.147) 0.913 13.818 ( 0.836 0.000 1.399) 1.630 14.120 ( 4.703 0.000 -0.077) 4.703 14.242 ( -5.926 -0.000 -3.071) 6.674 ======================= Grid point 243 (125/165) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -8.595 -2.310 3.374) 9.518 1.438 ( -7.867 -10.625 6.237) 14.618 1.572 ( -0.711 -4.757 2.309) 5.336 2.014 ( -3.471 -1.895 0.126) 3.957 2.148 ( 1.400 -8.416 -1.650) 8.690 2.220 ( 5.925 -4.198 -3.608) 8.108 2.287 ( 9.473 -3.750 -1.645) 10.320 2.556 ( -1.043 -5.110 -0.383) 5.229 2.659 ( -6.349 -3.724 7.519) 10.522 2.820 ( -1.984 -1.555 -0.806) 2.647 3.631 ( -2.620 -2.273 -3.336) 4.812 3.781 ( -0.241 7.706 2.831) 8.213 3.930 ( -1.396 0.410 5.013) 5.220 4.345 ( -21.193 -6.035 -0.817) 22.051 4.410 ( 4.282 -1.193 -0.486) 4.471 4.946 ( -0.275 0.371 2.693) 2.732 5.062 ( 8.789 -5.659 0.401) 10.460 6.288 ( -0.448 0.064 3.447) 3.477 6.976 ( 3.243 -3.821 0.610) 5.049 7.577 ( 0.083 0.975 -0.369) 1.046 7.616 ( 0.214 -0.508 -0.240) 0.601 7.660 ( 2.553 -1.282 -3.793) 4.748 7.826 ( -2.485 -2.684 0.411) 3.681 8.284 ( 0.628 1.726 -0.198) 1.847 8.722 ( 0.648 1.137 -0.306) 1.344 9.139 ( 0.082 0.793 -0.918) 1.216 10.305 ( 7.493 3.131 -0.939) 8.175 10.675 ( 0.542 3.287 -0.675) 3.399 11.629 ( 1.014 3.625 -0.063) 3.765 11.970 ( -8.188 1.022 -0.055) 8.252 12.099 ( -0.826 4.130 1.566) 4.494 12.190 ( -3.812 3.106 0.982) 5.014 12.297 ( -1.595 0.354 0.778) 1.809 12.772 ( 0.325 3.989 0.143) 4.005 12.880 ( 1.017 -1.165 -0.300) 1.575 12.999 ( 0.025 -0.877 0.779) 1.173 13.075 ( 0.112 0.828 0.683) 1.080 13.110 ( 0.533 0.990 -0.316) 1.168 13.284 ( -0.911 -2.850 0.503) 3.034 13.819 ( -0.023 1.099 0.534) 1.222 14.152 ( 0.055 1.152 -1.014) 1.536 14.192 ( 0.368 -0.886 -0.151) 0.971 ======================= Grid point 244 (126/165) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -5.374 -4.815 5.078) 8.823 1.509 ( -4.585 -3.357 3.504) 6.676 1.714 ( -3.785 -8.878 5.063) 10.899 2.064 ( 1.494 -3.610 0.529) 3.943 2.225 ( -4.896 -3.803 0.401) 6.212 2.396 ( 2.408 -10.193 1.116) 10.533 2.449 ( 7.529 -4.786 1.656) 9.073 2.658 ( -0.776 -8.385 4.167) 9.395 2.737 ( -0.761 -3.088 -1.313) 3.440 2.875 ( 0.723 -9.652 0.104) 9.679 3.555 ( -6.929 4.645 -1.138) 8.419 3.707 ( -2.753 -2.179 -0.093) 3.512 3.935 ( -0.322 0.659 4.001) 4.068 4.251 ( -25.528 -9.812 0.428) 27.352 4.518 ( 11.295 -0.787 2.242) 11.542 4.985 ( 4.544 -0.269 2.725) 5.305 5.267 ( 15.102 -3.428 0.181) 15.488 6.299 ( -2.840 -1.274 4.384) 5.376 7.102 ( 3.882 -6.390 0.722) 7.512 7.557 ( 0.155 0.988 -1.137) 1.514 7.617 ( 0.304 0.530 -0.187) 0.639 7.704 ( 2.010 -2.966 -2.399) 4.312 7.852 ( -3.426 -3.150 0.769) 4.717 8.249 ( -0.469 1.875 -0.544) 2.008 8.703 ( 0.534 1.725 0.334) 1.837 9.117 ( -0.104 1.124 -0.871) 1.426 10.263 ( 4.891 8.744 -2.991) 10.455 10.614 ( 0.140 2.886 -0.625) 2.956 11.545 ( -0.468 6.032 -0.846) 6.109 11.878 ( -6.347 0.692 -0.713) 6.424 12.002 ( -2.122 5.851 0.553) 6.249 12.099 ( -1.735 4.327 0.355) 4.675 12.280 ( -1.759 0.117 0.473) 1.825 12.710 ( 0.546 3.562 -0.642) 3.660 12.900 ( 0.704 -0.344 0.050) 0.785 12.991 ( -0.865 1.037 -0.940) 1.645 13.058 ( 0.312 1.485 0.743) 1.690 13.114 ( 0.196 -0.567 0.574) 0.831 13.345 ( -0.355 -4.532 0.899) 4.634 13.782 ( -1.615 2.503 -0.041) 2.979 14.110 ( -3.818 -0.327 -0.795) 3.913 14.242 ( 6.353 0.386 0.622) 6.395 ======================= Grid point 251 (127/165) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -5.883 -0.000 10.348) 11.904 1.264 ( -9.738 -0.000 13.105) 16.327 1.551 ( -1.095 -0.000 1.915) 2.206 1.962 ( -6.617 -0.000 5.068) 8.335 2.080 ( 3.762 0.000 0.369) 3.780 2.265 ( 9.972 0.000 -3.401) 10.536 2.338 ( 10.133 0.000 -1.871) 10.304 2.514 ( 2.806 0.000 -2.529) 3.778 2.588 ( -11.883 -0.000 14.435) 18.697 2.786 ( -2.918 -0.000 -0.080) 2.919 3.568 ( -2.424 -0.000 -3.218) 4.028 3.896 ( -30.652 -0.000 1.358) 30.682 3.911 ( -1.637 -0.000 1.301) 2.091 3.951 ( -5.024 -0.000 3.884) 6.350 4.511 ( 10.544 0.000 0.309) 10.549 4.946 ( 0.533 0.000 3.355) 3.398 5.213 ( 23.486 0.000 0.486) 23.491 6.290 ( -3.934 -0.000 5.169) 6.496 6.984 ( 4.548 0.000 0.636) 4.592 7.589 ( -0.367 -0.000 0.698) 0.789 7.600 ( -0.602 -0.000 -0.942) 1.118 7.665 ( 4.007 0.000 -3.471) 5.301 7.773 ( -4.028 -0.000 0.427) 4.051 8.302 ( 0.220 0.000 -0.562) 0.603 8.737 ( 0.383 0.000 0.212) 0.438 9.141 ( -0.135 -0.000 -0.833) 0.844 10.394 ( 7.137 0.000 -2.387) 7.526 10.698 ( -0.319 -0.000 -2.487) 2.507 11.670 ( 1.558 0.000 -1.417) 2.106 11.881 ( -10.143 -0.000 -1.076) 10.200 12.134 ( -1.325 -0.000 0.082) 1.327 12.167 ( -5.567 -0.000 1.640) 5.803 12.294 ( -1.144 -0.000 0.448) 1.229 12.824 ( 0.297 0.000 0.174) 0.344 12.867 ( 0.340 0.000 0.315) 0.463 12.996 ( 0.133 0.000 0.616) 0.630 13.075 ( -0.774 -0.000 -0.661) 1.018 13.127 ( 0.722 0.000 -0.089) 0.728 13.247 ( -1.554 -0.000 0.531) 1.642 13.825 ( -0.979 -0.000 -0.446) 1.076 14.107 ( -4.998 -0.000 0.187) 5.002 14.254 ( 7.650 0.000 1.024) 7.719 ======================= Grid point 252 (128/165) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -3.962 -1.368 13.618) 14.248 1.375 ( -9.244 -8.163 11.258) 16.698 1.603 ( 0.407 -6.353 5.029) 8.112 1.951 ( -6.450 -3.743 6.187) 9.690 2.205 ( 3.516 -6.498 2.334) 7.748 2.310 ( 4.636 0.570 -0.997) 4.776 2.462 ( 7.353 -2.409 -1.208) 7.832 2.556 ( -0.396 -5.203 6.696) 8.489 2.664 ( 0.587 -7.278 5.748) 9.293 2.762 ( -3.345 -2.476 0.792) 4.236 3.496 ( -15.848 2.455 -2.146) 16.180 3.593 ( -13.676 -3.677 0.114) 14.162 3.916 ( -5.232 -1.360 1.750) 5.682 4.000 ( -0.767 -1.583 1.270) 2.169 4.617 ( 9.278 -1.024 2.044) 9.555 5.008 ( 3.313 -1.909 4.276) 5.737 5.456 ( 24.390 -0.116 0.742) 24.402 6.277 ( -4.839 -0.281 6.096) 7.788 7.068 ( 5.799 -3.429 0.676) 6.771 7.565 ( -0.631 1.116 -1.050) 1.657 7.612 ( -0.832 -1.300 0.537) 1.634 7.689 ( 3.193 -0.263 -2.479) 4.051 7.756 ( -4.858 -3.108 0.489) 5.788 8.281 ( -0.217 2.030 -0.716) 2.164 8.733 ( 0.254 1.010 0.877) 1.362 9.127 ( -0.480 0.799 -0.812) 1.236 10.398 ( 4.031 4.720 -5.046) 7.999 10.652 ( -0.655 2.339 -2.068) 3.190 11.626 ( -0.370 4.988 -2.119) 5.432 11.797 ( -6.971 -1.608 -1.677) 7.348 12.063 ( -3.536 4.259 -0.177) 5.539 12.123 ( -4.020 1.220 0.283) 4.211 12.278 ( -0.759 0.897 0.607) 1.323 12.776 ( -0.016 4.098 -0.221) 4.104 12.891 ( -0.157 -1.397 0.047) 1.407 12.996 ( -0.231 0.466 -0.016) 0.521 13.075 ( -0.379 -0.992 -0.109) 1.067 13.108 ( -0.491 1.873 -0.442) 1.987 13.273 ( -0.818 -3.896 0.890) 4.079 13.796 ( -1.786 1.406 -0.681) 2.373 14.075 ( -2.590 -0.055 1.044) 2.793 14.326 ( 7.063 0.782 1.093) 7.190 ======================= Grid point 260 (129/165) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -9.237 -0.000 12.748) 15.743 1.294 ( -4.889 -0.000 18.560) 19.193 1.576 ( 1.274 0.000 6.685) 6.805 1.923 ( -4.207 -0.000 9.477) 10.368 2.163 ( 3.013 0.000 1.826) 3.524 2.396 ( 4.210 0.000 -2.196) 4.749 2.469 ( -0.944 -0.000 7.324) 7.385 2.607 ( 2.791 0.000 8.188) 8.651 2.621 ( 11.075 0.000 -0.813) 11.104 2.716 ( -5.648 -0.000 4.982) 7.532 3.273 ( -23.788 -0.000 -0.420) 23.791 3.493 ( -1.669 -0.000 -2.813) 3.271 3.901 ( -1.226 -0.000 2.694) 2.960 3.997 ( 0.024 0.000 -1.777) 1.777 4.690 ( 6.354 0.000 1.984) 6.657 5.061 ( 4.072 0.000 6.815) 7.939 5.688 ( 21.608 0.000 0.843) 21.624 6.266 ( -4.012 -0.000 7.063) 8.123 7.111 ( 8.016 0.000 0.718) 8.048 7.565 ( -4.921 -0.000 0.555) 4.952 7.576 ( -0.025 -0.000 -1.714) 1.715 7.674 ( -5.039 -0.000 0.462) 5.060 7.722 ( 4.366 0.000 -1.409) 4.588 8.292 ( -0.330 -0.000 -0.683) 0.759 8.751 ( 0.363 0.000 1.538) 1.580 9.123 ( -0.840 -0.000 -0.798) 1.158 10.431 ( 0.668 0.000 -7.790) 7.818 10.653 ( -0.469 -0.000 -1.711) 1.774 11.677 ( 1.364 0.000 -2.915) 3.218 11.684 ( -7.277 -0.000 -2.427) 7.671 12.070 ( -5.661 -0.000 1.328) 5.814 12.074 ( -3.405 -0.000 -1.696) 3.804 12.287 ( -0.322 -0.000 0.439) 0.545 12.826 ( -0.357 -0.000 0.065) 0.362 12.850 ( -2.208 -0.000 -0.298) 2.228 13.004 ( 0.332 0.000 0.599) 0.685 13.053 ( -0.135 -0.000 -0.918) 0.928 13.135 ( 0.192 0.000 -0.200) 0.277 13.224 ( -1.189 -0.000 0.598) 1.331 13.790 ( -1.064 -0.000 -0.519) 1.184 14.067 ( -0.842 -0.000 1.677) 1.876 14.402 ( 5.576 0.000 1.344) 5.736 ======================= Grid point 261 (130/165) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.426 0.000 2.592) 2.627 1.664 ( 0.108 0.000 5.974) 5.975 1.738 ( 0.556 0.000 0.905) 1.062 2.143 ( 1.170 0.000 3.395) 3.591 2.248 ( 0.056 0.000 0.744) 0.746 2.357 ( 1.067 0.000 -1.930) 2.206 2.610 ( 0.451 0.000 1.096) 1.185 2.717 ( 2.745 0.000 0.055) 2.745 2.771 ( 3.311 0.000 -1.599) 3.677 2.868 ( -2.514 -0.000 -0.393) 2.544 3.195 ( -0.384 -0.000 10.286) 10.293 3.437 ( 1.159 0.000 -0.806) 1.412 3.839 ( -1.025 -0.000 -3.783) 3.919 3.972 ( 0.347 0.000 1.282) 1.328 4.822 ( 0.147 0.000 1.142) 1.151 5.285 ( -1.022 -0.000 3.340) 3.493 5.965 ( 1.511 0.000 0.213) 1.526 6.410 ( 1.189 0.000 2.336) 2.621 7.279 ( -0.811 -0.000 0.480) 0.943 7.423 ( -0.039 -0.000 0.179) 0.184 7.526 ( 0.449 0.000 -1.271) 1.347 7.644 ( -0.105 -0.000 0.030) 0.109 7.811 ( 1.697 0.000 0.925) 1.933 8.252 ( -0.273 -0.000 -0.995) 1.032 8.821 ( 0.538 0.000 1.043) 1.173 9.087 ( -0.171 -0.000 -0.353) 0.392 10.130 ( -2.316 -0.000 -4.176) 4.776 10.648 ( -0.049 -0.000 0.046) 0.067 11.530 ( -0.749 -0.000 -1.072) 1.307 11.600 ( -0.755 -0.000 -1.280) 1.486 11.988 ( -0.712 -0.000 -0.321) 0.781 12.032 ( -0.578 -0.000 0.708) 0.913 12.284 ( -0.394 -0.000 0.090) 0.404 12.797 ( -0.990 -0.000 0.002) 0.990 12.817 ( -0.452 -0.000 0.177) 0.486 13.026 ( 0.184 0.000 0.180) 0.257 13.035 ( 0.082 0.000 -0.385) 0.393 13.131 ( 0.090 0.000 -0.068) 0.112 13.229 ( 0.257 0.000 0.185) 0.317 13.782 ( 0.067 0.000 -0.020) 0.070 14.108 ( 0.827 0.000 0.392) 0.915 14.492 ( 0.140 0.000 0.444) 0.466 ======================= Grid point 262 (131/165) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 5.881 -2.251 0.931) 6.366 1.667 ( 0.575 1.835 0.521) 1.992 1.879 ( -0.183 -13.747 2.033) 13.898 2.120 ( 2.316 2.953 0.467) 3.782 2.332 ( -1.586 -6.087 -0.574) 6.316 2.396 ( 2.137 -4.100 -0.802) 4.693 2.601 ( -6.654 0.424 -0.988) 6.740 2.659 ( 2.655 1.965 -2.884) 4.385 2.834 ( 5.234 -3.240 0.073) 6.156 2.956 ( 4.234 -5.573 -0.998) 7.070 3.267 ( 3.550 -2.309 4.500) 6.179 3.430 ( 3.458 2.751 -1.523) 4.674 3.836 ( 1.809 -1.014 -0.365) 2.106 3.980 ( 1.363 0.351 0.056) 1.409 4.838 ( -4.154 -3.156 0.638) 5.256 5.256 ( -4.766 1.526 2.138) 5.442 5.918 ( -10.115 0.508 -1.217) 10.201 6.428 ( 3.586 1.528 0.029) 3.898 7.227 ( -10.437 -2.864 0.627) 10.841 7.471 ( 6.778 1.679 -0.097) 6.984 7.566 ( 3.533 -3.405 -0.428) 4.925 7.666 ( 1.008 -1.998 -0.072) 2.239 7.823 ( 0.736 -0.432 -1.087) 1.382 8.223 ( -0.458 2.475 -0.276) 2.532 8.810 ( -0.312 1.713 0.013) 1.742 9.083 ( 0.812 0.639 -0.064) 1.035 10.069 ( -1.305 3.708 0.426) 3.954 10.634 ( -0.858 1.013 0.076) 1.330 11.491 ( 0.595 3.712 0.213) 3.765 11.625 ( -0.035 -3.398 0.253) 3.408 11.953 ( 0.645 3.351 0.653) 3.474 12.051 ( 1.886 0.146 0.644) 1.998 12.274 ( -0.539 0.583 0.365) 0.874 12.747 ( -0.526 3.415 0.428) 3.482 12.852 ( -0.483 -2.578 0.834) 2.752 13.014 ( -0.453 1.330 -0.352) 1.449 13.035 ( 0.515 -0.059 0.024) 0.519 13.090 ( 0.643 3.175 0.035) 3.240 13.299 ( 0.707 -5.589 -0.163) 5.636 13.768 ( -0.233 1.395 -0.036) 1.415 14.116 ( 2.434 0.884 -0.676) 2.676 14.466 ( -2.684 1.720 0.042) 3.188 ======================= Grid point 263 (132/165) ======================= q-point: ( 0.25 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 1.218 -0.779 0.398) 1.500 1.637 ( 0.768 1.774 -1.730) 2.594 2.044 ( -3.219 -2.360 0.185) 3.996 2.192 ( 3.115 -10.770 -1.009) 11.257 2.353 ( -2.070 1.764 -3.054) 4.090 2.465 ( -2.651 -2.085 -0.219) 3.380 2.535 ( -3.591 -5.054 -1.150) 6.306 2.691 ( 3.654 -2.277 -2.709) 5.087 2.925 ( 4.626 0.414 -1.686) 4.942 3.093 ( 4.436 -7.072 -2.626) 8.752 3.352 ( 7.277 0.297 -4.249) 8.432 3.478 ( 8.112 -3.301 5.890) 10.555 3.891 ( 2.771 -1.148 1.655) 3.426 4.013 ( 6.482 -2.386 -1.438) 7.055 4.826 ( -9.402 -1.964 0.893) 9.646 5.188 ( -5.105 1.193 0.401) 5.257 5.741 ( -19.132 2.311 -1.689) 19.345 6.429 ( 4.186 2.341 -1.147) 4.932 7.216 ( -6.476 -5.378 0.228) 8.421 7.491 ( 2.865 0.881 0.003) 2.998 7.635 ( 1.019 -0.722 -0.160) 1.259 7.717 ( 2.940 -1.163 -0.836) 3.271 7.864 ( 1.284 -4.939 -1.974) 5.472 8.170 ( 0.336 3.023 0.501) 3.083 8.763 ( -1.031 2.793 -0.310) 2.993 9.081 ( 1.316 0.817 -0.134) 1.554 9.993 ( -0.348 5.456 3.553) 6.520 10.605 ( -0.971 1.318 0.150) 1.644 11.435 ( 0.086 3.616 1.169) 3.801 11.702 ( 2.182 -3.695 1.175) 4.449 11.907 ( 1.123 3.628 1.299) 4.014 12.052 ( 2.055 2.390 0.472) 3.187 12.268 ( -0.116 -0.108 0.298) 0.337 12.688 ( -0.327 3.233 0.238) 3.258 12.889 ( -0.795 -1.511 0.983) 1.971 12.988 ( -0.420 0.762 -0.127) 0.879 13.038 ( 1.781 1.489 -0.012) 2.322 13.066 ( 0.892 0.301 0.715) 1.183 13.394 ( 0.142 -5.122 -0.500) 5.148 13.736 ( -0.092 2.045 0.177) 2.054 14.120 ( 3.720 1.410 -1.671) 4.315 14.389 ( -4.927 2.749 -0.187) 5.645 ======================= Grid point 264 (133/165) ======================= q-point: ( 0.38 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -2.182 0.939 -0.291) 2.393 1.612 ( 0.675 1.086 -1.422) 1.912 2.008 ( -3.229 1.071 -2.389) 4.157 2.216 ( -4.092 5.260 -2.428) 7.093 2.360 ( -3.063 -7.364 -0.977) 8.035 2.490 ( 1.061 -1.574 1.292) 2.297 2.609 ( -0.840 -4.644 -0.922) 4.809 2.748 ( 3.341 -0.618 -2.200) 4.048 2.918 ( 2.070 0.916 -2.174) 3.138 3.168 ( 0.808 -1.167 -4.123) 4.361 3.432 ( 8.634 -1.098 -0.777) 8.738 3.646 ( 4.616 -3.731 3.035) 6.667 3.927 ( 3.955 0.676 1.639) 4.334 4.226 ( 17.028 -9.015 -0.631) 19.277 4.728 ( -12.485 0.982 1.334) 12.595 5.112 ( -6.683 2.223 -0.263) 7.048 5.493 ( -16.809 3.380 -1.161) 17.185 6.424 ( 2.660 1.715 -0.732) 3.248 7.266 ( -2.423 -4.893 -0.167) 5.463 7.503 ( 1.465 0.276 0.146) 1.498 7.619 ( 0.166 1.894 -0.839) 2.079 7.752 ( 0.281 -2.044 -0.653) 2.164 7.912 ( 0.217 0.946 -1.282) 1.608 8.186 ( 2.122 -3.506 0.354) 4.113 8.704 ( -1.097 2.633 0.104) 2.855 9.079 ( 1.013 0.616 -0.390) 1.248 9.932 ( 0.163 3.422 3.251) 4.723 10.580 ( -0.557 0.838 0.191) 1.024 11.394 ( -0.151 1.799 1.194) 2.164 11.785 ( 2.258 -2.466 0.778) 3.433 11.875 ( 0.852 1.804 1.385) 2.429 12.025 ( 0.622 2.284 0.308) 2.387 12.274 ( 0.218 -0.256 0.071) 0.343 12.643 ( 0.055 1.894 -0.116) 1.899 12.897 ( -0.896 -0.389 0.786) 1.254 12.968 ( -0.867 0.808 -1.098) 1.616 13.036 ( 1.479 0.708 0.731) 1.795 13.098 ( 1.921 -1.184 1.434) 2.674 13.457 ( -0.526 -2.838 -0.597) 2.948 13.710 ( 0.304 1.196 0.543) 1.349 14.123 ( 3.694 1.380 -2.208) 4.519 14.293 ( -4.929 2.374 0.063) 5.471 ======================= Grid point 265 (134/165) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -0.814 0.975 0.558) 1.387 1.595 ( -0.598 0.740 0.088) 0.955 1.937 ( -2.044 2.115 -1.152) 3.159 2.129 ( -0.873 1.446 1.431) 2.214 2.381 ( -6.909 -0.988 3.362) 7.747 2.533 ( 4.803 0.658 -1.349) 5.032 2.641 ( -0.330 -0.700 -1.777) 1.938 2.735 ( 1.130 2.150 -1.016) 2.632 2.921 ( 0.720 1.539 0.469) 1.763 3.151 ( 1.898 2.478 -1.390) 3.417 3.479 ( 0.531 0.538 -0.398) 0.854 3.716 ( 0.511 -1.333 0.200) 1.441 3.960 ( 1.159 0.039 0.411) 1.230 4.486 ( -1.120 0.293 -0.190) 1.173 4.604 ( -0.241 -0.086 2.229) 2.244 5.007 ( -1.719 0.789 1.177) 2.227 5.370 ( 0.685 0.997 -0.267) 1.239 6.412 ( -0.423 1.107 0.783) 1.420 7.298 ( 0.347 0.516 0.062) 0.624 7.511 ( 0.300 -0.296 -0.238) 0.484 7.594 ( 0.335 0.553 -0.383) 0.751 7.775 ( -0.144 -0.036 -0.665) 0.681 7.877 ( 0.051 0.614 0.200) 0.648 8.247 ( -0.429 -0.493 -0.239) 0.696 8.672 ( -0.081 0.191 0.442) 0.489 9.078 ( 0.289 0.015 -0.471) 0.553 9.934 ( 0.257 -2.572 -0.209) 2.593 10.571 ( -0.067 -0.110 0.089) 0.157 11.388 ( -0.414 -0.969 0.229) 1.079 11.819 ( -0.372 -0.695 -0.106) 0.796 11.884 ( 0.343 -0.635 0.372) 0.812 12.006 ( -0.262 -0.143 0.203) 0.361 12.277 ( -0.120 -0.031 0.046) 0.132 12.628 ( 0.258 -0.102 -0.400) 0.487 12.905 ( 0.007 -0.631 0.820) 1.034 12.942 ( -0.400 0.504 -1.164) 1.330 13.042 ( 0.092 -0.106 0.377) 0.402 13.134 ( 0.607 -0.387 0.711) 1.011 13.471 ( -0.104 0.500 0.011) 0.511 13.708 ( -0.596 -0.576 0.360) 0.904 14.112 ( -0.832 0.787 -0.855) 1.429 14.247 ( 1.322 0.372 -0.089) 1.376 ======================= Grid point 266 (135/165) ======================= q-point: (-0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 1.677 0.381 3.107) 3.551 1.575 ( -2.351 0.593 2.232) 3.296 1.914 ( 0.385 1.286 5.480) 5.642 2.163 ( 3.288 -2.296 3.334) 5.215 2.305 ( -6.341 4.772 4.364) 9.057 2.529 ( 5.055 4.340 -2.444) 7.096 2.610 ( 1.442 4.103 -0.784) 4.419 2.716 ( -2.843 0.215 1.035) 3.033 2.871 ( -0.349 4.079 2.522) 4.808 3.106 ( 3.535 6.304 1.756) 7.438 3.431 ( -7.684 0.939 -0.498) 7.757 3.699 ( -2.598 1.934 -2.091) 3.855 3.952 ( -2.456 -0.678 -0.708) 2.644 4.201 ( -20.469 9.541 1.731) 22.650 4.723 ( 11.343 0.229 2.049) 11.529 5.085 ( 4.954 -2.087 2.208) 5.811 5.471 ( 17.953 -1.546 1.077) 18.051 6.389 ( -3.271 0.359 2.692) 4.252 7.260 ( 2.907 5.218 0.378) 5.985 7.514 ( -0.810 -0.548 -0.878) 1.314 7.607 ( 0.533 -1.372 0.358) 1.515 7.741 ( -0.059 2.822 0.056) 2.823 7.891 ( -0.691 0.291 1.150) 1.373 8.200 ( -2.291 1.705 -1.029) 3.036 8.698 ( 0.812 -1.960 0.681) 2.228 9.080 ( -0.400 -0.686 -0.474) 0.925 10.011 ( -0.311 -7.522 -4.466) 8.753 10.582 ( 0.350 -1.021 -0.089) 1.083 11.418 ( -0.762 -3.397 -1.120) 3.658 11.804 ( -2.807 0.792 -1.008) 3.086 11.898 ( -0.947 -2.376 -0.903) 2.712 12.028 ( -1.037 -2.583 0.032) 2.784 12.274 ( -0.447 0.098 0.115) 0.472 12.647 ( 0.287 -2.162 -0.539) 2.246 12.912 ( 0.476 0.382 -0.465) 0.767 12.949 ( 0.522 -1.485 0.482) 1.647 13.045 ( -1.065 -0.706 -0.126) 1.284 13.121 ( -1.610 1.118 -0.812) 2.121 13.443 ( 0.459 3.360 0.873) 3.502 13.718 ( -1.489 -1.791 -0.162) 2.335 14.089 ( -2.804 -0.490 1.137) 3.065 14.295 ( 5.529 -1.498 -0.128) 5.730 ======================= Grid point 267 (136/165) ======================= q-point: (-0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -1.315 1.669 3.279) 3.907 1.569 ( -1.612 -0.791 5.550) 5.834 1.937 ( 1.883 3.444 9.347) 10.138 2.136 ( -4.700 9.211 4.641) 11.334 2.299 ( 4.670 -4.186 2.397) 6.714 2.474 ( 3.316 6.610 0.286) 7.400 2.525 ( 2.833 6.286 -0.854) 6.948 2.664 ( -2.907 1.797 0.118) 3.419 2.860 ( -0.306 0.413 5.028) 5.054 3.024 ( 3.250 9.206 3.885) 10.508 3.302 ( -13.035 1.261 0.394) 13.102 3.571 ( -7.631 4.934 -2.938) 9.550 3.917 ( -3.151 2.040 -0.565) 3.796 3.979 ( -6.130 0.322 1.332) 6.281 4.812 ( 8.359 2.637 2.305) 9.063 5.159 ( 4.125 -1.081 3.014) 5.222 5.707 ( 20.545 -1.272 1.715) 20.655 6.376 ( -3.960 -0.884 4.181) 5.826 7.216 ( 6.419 5.032 0.241) 8.159 7.504 ( -2.218 -0.781 -1.193) 2.637 7.631 ( -0.699 0.144 0.322) 0.783 7.695 ( -1.540 1.515 0.783) 2.298 7.826 ( -1.393 5.516 1.806) 5.969 8.196 ( -0.512 -3.232 -1.802) 3.736 8.747 ( 0.894 -2.075 1.243) 2.579 9.086 ( -0.832 -0.967 -0.572) 1.398 10.104 ( -1.424 -7.725 -7.171) 10.636 10.608 ( 0.691 -1.390 -0.143) 1.559 11.468 ( -1.191 -4.508 -2.027) 5.084 11.734 ( -3.028 2.703 -1.948) 4.502 11.934 ( -2.043 -3.918 -1.331) 4.615 12.056 ( -2.559 -2.557 0.011) 3.618 12.271 ( -0.196 -0.206 0.038) 0.287 12.696 ( 0.209 -3.615 -0.574) 3.667 12.903 ( 0.010 1.007 -0.415) 1.089 12.984 ( 1.032 -1.126 0.312) 1.559 13.046 ( -2.465 -1.684 -0.692) 3.065 13.079 ( -1.107 0.840 -0.668) 1.542 13.379 ( 0.115 5.150 1.039) 5.255 13.740 ( -0.661 -2.162 -0.163) 2.266 14.087 ( -1.976 -1.002 1.588) 2.726 14.383 ( 5.142 -2.253 0.465) 5.634 ======================= Grid point 268 (137/165) ======================= q-point: (-0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -6.324 2.873 3.675) 7.859 1.622 ( 0.347 -1.246 5.818) 5.960 1.836 ( 0.588 12.817 5.663) 14.025 2.075 ( -1.549 -2.577 4.961) 5.801 2.327 ( 2.356 7.108 0.282) 7.493 2.384 ( -0.124 3.292 0.454) 3.326 2.568 ( 9.059 -2.207 1.706) 9.479 2.626 ( -1.634 -0.527 0.522) 1.794 2.828 ( 1.534 6.142 0.622) 6.361 2.943 ( -2.904 2.997 2.185) 4.710 3.187 ( -7.688 1.776 8.458) 11.567 3.448 ( -2.867 1.054 -1.565) 3.432 3.873 ( -2.415 -0.547 -3.236) 4.074 3.964 ( -0.822 -0.171 1.333) 1.575 4.825 ( 3.910 3.360 1.844) 5.475 5.240 ( 3.259 -1.468 3.649) 5.108 5.891 ( 12.511 -0.182 1.422) 12.593 6.386 ( -1.980 -1.038 4.155) 4.718 7.232 ( 9.609 2.549 0.141) 9.943 7.478 ( -6.963 -1.302 -0.663) 7.115 7.565 ( -2.887 3.209 -0.415) 4.336 7.666 ( -0.886 1.579 -0.025) 1.810 7.786 ( 1.948 0.875 2.261) 3.110 8.238 ( 0.025 -2.497 -1.533) 2.930 8.793 ( 0.869 -1.403 1.584) 2.287 9.089 ( -0.807 -0.708 -0.596) 1.228 10.148 ( -2.393 -4.406 -7.207) 8.780 10.635 ( 0.675 -1.013 -0.031) 1.218 11.514 ( -1.915 -3.987 -2.030) 4.866 11.650 ( -1.290 3.120 -2.134) 3.994 11.968 ( -2.086 -3.392 -0.934) 4.091 12.054 ( -2.685 -0.205 0.231) 2.703 12.278 ( -0.079 -0.754 -0.092) 0.764 12.757 ( -0.307 -3.757 -0.475) 3.799 12.865 ( -0.944 2.514 -0.391) 2.714 13.011 ( 0.861 -1.007 0.153) 1.333 13.038 ( -0.740 -0.062 -0.475) 0.882 13.091 ( -0.616 -2.939 -0.048) 3.004 13.292 ( -0.202 5.503 0.611) 5.540 13.768 ( 0.095 -1.406 -0.018) 1.409 14.096 ( -0.714 -0.754 1.221) 1.603 14.460 ( 2.946 -1.595 0.674) 3.417 ======================= Grid point 270 (138/165) ======================= q-point: ( 0.12 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 7.052 0.000 -0.259) 7.057 1.719 ( -1.953 -0.000 -1.232) 2.309 1.723 ( 2.729 0.000 -0.662) 2.808 2.191 ( -4.913 -0.000 -0.657) 4.956 2.213 ( 3.597 0.000 -0.858) 3.698 2.381 ( 2.366 0.000 -1.538) 2.822 2.506 ( -10.676 -0.000 -2.418) 10.947 2.726 ( -3.086 -0.000 -6.277) 6.995 2.776 ( 10.901 0.000 -2.883) 11.275 3.002 ( 7.423 0.000 0.754) 7.461 3.330 ( 11.105 0.000 0.977) 11.148 3.483 ( 4.750 0.000 -2.251) 5.256 3.869 ( 4.867 0.000 2.555) 5.497 3.991 ( 1.309 0.000 -0.937) 1.610 4.753 ( -7.666 -0.000 -0.277) 7.671 5.215 ( -7.538 -0.000 1.214) 7.635 5.771 ( -18.527 -0.000 -2.657) 18.717 6.477 ( 4.601 0.000 -2.162) 5.084 7.109 ( -9.054 -0.000 1.000) 9.109 7.528 ( 0.817 0.000 -0.751) 1.110 7.578 ( 5.311 0.000 0.007) 5.311 7.670 ( 4.203 0.000 0.451) 4.227 7.811 ( -0.409 -0.000 -3.444) 3.468 8.239 ( -0.697 -0.000 0.680) 0.974 8.816 ( -0.920 -0.000 -1.003) 1.362 9.101 ( 1.486 0.000 0.128) 1.491 10.106 ( -0.694 -0.000 4.768) 4.818 10.630 ( -1.693 -0.000 0.183) 1.703 11.566 ( -2.517 -0.000 1.660) 3.015 11.583 ( 5.779 0.000 1.708) 6.026 12.003 ( 1.461 0.000 1.437) 2.049 12.085 ( 4.552 0.000 0.849) 4.631 12.277 ( -0.737 -0.000 0.774) 1.068 12.798 ( -0.013 -0.000 1.725) 1.725 12.812 ( -0.680 -0.000 0.790) 1.042 13.025 ( -0.298 -0.000 -0.325) 0.441 13.028 ( -0.275 -0.000 -0.070) 0.284 13.136 ( 0.230 0.000 -0.077) 0.243 13.251 ( 1.942 0.000 -0.379) 1.979 13.776 ( -0.565 -0.000 0.090) 0.572 14.149 ( 4.021 0.000 -1.798) 4.405 14.442 ( -5.126 -0.000 -0.347) 5.138 ======================= Grid point 271 (139/165) ======================= q-point: ( 0.25 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 1.386 1.122 -0.920) 2.007 1.656 ( -0.147 1.729 -2.688) 3.200 1.876 ( 0.411 -12.138 -3.015) 12.513 2.109 ( -3.665 0.955 -0.782) 3.868 2.310 ( -1.076 -4.649 -0.540) 4.803 2.381 ( -5.624 -1.297 -5.570) 8.021 2.430 ( -0.032 -3.594 -0.682) 3.658 2.659 ( -2.114 -1.590 -5.563) 6.160 2.890 ( 3.907 -3.916 -4.721) 7.272 3.046 ( 2.934 -0.786 -4.531) 5.455 3.473 ( 13.990 2.338 -1.922) 14.314 3.559 ( 13.659 -2.510 2.731) 14.154 3.930 ( 5.363 0.499 2.065) 5.769 4.025 ( 4.919 -2.797 -1.025) 5.751 4.681 ( -11.808 -2.303 -0.333) 12.035 5.145 ( -5.763 0.267 -0.247) 5.775 5.547 ( -22.218 0.414 -3.218) 22.453 6.487 ( 3.097 1.593 -3.131) 4.683 7.073 ( -6.014 -4.020 0.630) 7.261 7.523 ( 1.092 0.887 -0.263) 1.431 7.620 ( 0.356 -1.491 -0.162) 1.541 7.735 ( 4.034 -0.538 -1.078) 4.210 7.796 ( 0.487 -2.546 -3.216) 4.130 8.220 ( -0.388 2.086 1.317) 2.497 8.784 ( -1.381 1.603 -1.217) 2.441 9.110 ( 1.603 0.769 -0.102) 1.781 10.100 ( -0.776 3.841 7.170) 8.171 10.609 ( -1.645 0.658 0.465) 1.832 11.514 ( -0.530 3.955 2.706) 4.822 11.695 ( 6.202 -2.735 2.673) 7.286 11.998 ( 2.073 3.483 2.143) 4.585 12.124 ( 4.179 1.954 0.647) 4.659 12.272 ( -0.070 0.230 0.813) 0.848 12.748 ( -0.265 3.846 1.066) 4.000 12.859 ( -0.387 -2.363 1.579) 2.868 12.997 ( -0.807 1.302 -0.307) 1.563 13.049 ( 0.612 -1.431 0.465) 1.624 13.106 ( 0.617 2.623 0.039) 2.695 13.312 ( 0.936 -4.343 -0.643) 4.489 13.763 ( -0.349 1.074 0.587) 1.273 14.172 ( 5.026 1.059 -2.859) 5.879 14.367 ( -6.638 1.512 -0.673) 6.841 ======================= Grid point 272 (140/165) ======================= q-point: ( 0.38 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -1.267 1.355 -1.771) 2.565 1.621 ( -0.357 0.850 -2.109) 2.302 1.979 ( -0.623 -0.988 -4.455) 4.605 2.133 ( -7.329 -8.994 0.288) 11.606 2.228 ( -4.337 0.971 -3.520) 5.669 2.452 ( 0.383 -5.298 -1.416) 5.497 2.513 ( 1.067 -6.092 -1.823) 6.448 2.700 ( 0.217 -6.499 -2.153) 6.850 2.901 ( -1.442 -0.179 -5.476) 5.666 3.075 ( 0.929 -4.398 -7.090) 8.395 3.522 ( 6.713 2.262 -0.067) 7.084 3.706 ( 7.922 1.328 0.856) 8.078 3.980 ( 3.725 0.968 1.321) 4.069 4.241 ( 17.665 -10.012 0.507) 20.311 4.585 ( -14.283 -1.740 -0.112) 14.389 5.088 ( -4.351 1.810 -0.664) 4.759 5.346 ( -13.262 -1.845 -3.092) 13.742 6.455 ( -0.276 1.727 -2.521) 3.068 7.123 ( -3.774 -7.048 -0.147) 7.997 7.520 ( 0.808 0.558 -0.008) 0.982 7.627 ( -0.752 0.032 -0.906) 1.178 7.734 ( 0.387 -0.489 -2.712) 2.783 7.881 ( 2.028 -4.285 -0.814) 4.810 8.192 ( 0.500 1.482 1.503) 2.170 8.731 ( -1.590 2.277 -0.703) 2.865 9.106 ( 1.287 1.214 -0.425) 1.819 10.042 ( -1.173 6.092 6.646) 9.091 10.586 ( -1.131 0.848 0.622) 1.544 11.459 ( 0.084 4.110 2.890) 5.025 11.804 ( 5.935 -1.091 2.485) 6.526 11.959 ( 2.045 4.669 2.163) 5.537 12.097 ( 1.640 4.471 0.538) 4.792 12.281 ( 1.234 0.035 0.407) 1.299 12.688 ( -0.025 3.436 0.440) 3.464 12.885 ( -0.682 -0.796 0.999) 1.448 12.971 ( -0.698 0.872 -0.246) 1.144 13.066 ( -0.087 1.307 0.398) 1.369 13.099 ( 1.519 -1.212 0.973) 2.173 13.384 ( -0.422 -4.284 -0.773) 4.373 13.745 ( 0.250 1.585 1.254) 2.037 14.171 ( 2.354 2.260 -2.926) 4.383 14.279 ( -3.673 1.243 -1.021) 4.010 ======================= Grid point 273 (141/165) ======================= q-point: ( 0.50 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 0.648 0.038 -0.694) 0.950 1.594 ( -1.444 0.433 -0.622) 1.630 1.946 ( 0.380 0.979 -1.623) 1.933 2.115 ( -4.066 -0.838 -0.318) 4.163 2.266 ( -5.815 -6.133 2.157) 8.723 2.525 ( -0.784 -4.701 -0.250) 4.773 2.606 ( 2.980 -3.285 -2.033) 4.879 2.774 ( 1.760 0.441 -2.186) 2.841 2.878 ( -2.516 -4.008 -3.523) 5.900 3.120 ( 0.188 -4.418 -5.934) 7.401 3.511 ( 0.625 3.361 -0.439) 3.447 3.734 ( 2.442 0.848 0.041) 2.585 3.964 ( -2.767 1.804 -0.297) 3.316 4.419 ( -12.465 1.455 0.537) 12.561 4.603 ( 8.439 -7.869 1.581) 11.646 5.017 ( 0.577 0.125 0.239) 0.638 5.372 ( 8.643 -4.568 -2.271) 10.036 6.405 ( -3.992 0.598 -0.939) 4.144 7.213 ( -2.905 -7.256 -0.599) 7.839 7.515 ( 0.109 0.714 -0.124) 0.733 7.608 ( -0.002 0.590 -1.495) 1.607 7.750 ( 0.432 -2.085 -0.848) 2.291 7.912 ( 0.749 1.614 -0.425) 1.829 8.216 ( 0.134 -2.299 1.094) 2.549 8.680 ( -1.279 1.449 -0.140) 1.938 9.092 ( 0.792 1.234 -0.558) 1.569 9.962 ( -1.249 4.859 3.734) 6.254 10.568 ( -0.747 0.358 0.415) 0.927 11.413 ( 0.303 3.047 2.093) 3.708 11.848 ( 2.265 2.364 1.528) 3.613 11.924 ( 2.739 2.951 1.111) 4.177 12.037 ( 0.291 3.502 0.501) 3.550 12.288 ( 1.026 0.680 0.189) 1.245 12.643 ( 0.053 1.964 -0.160) 1.972 12.897 ( -0.170 -0.816 0.798) 1.154 12.949 ( 0.050 1.013 -0.351) 1.073 13.045 ( -0.778 0.755 0.296) 1.124 13.131 ( -0.208 -0.630 0.332) 0.742 13.438 ( -0.665 -3.256 -0.479) 3.358 13.726 ( 0.030 1.881 1.468) 2.386 14.109 ( -3.357 1.903 -0.848) 3.951 14.268 ( 3.640 -0.163 -1.961) 4.138 ======================= Grid point 274 (142/165) ======================= q-point: (-0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 3.114 -0.770 1.365) 3.486 1.570 ( -2.600 0.378 1.236) 2.904 1.964 ( 2.612 -0.085 4.149) 4.904 2.138 ( 0.191 -3.922 1.899) 4.361 2.292 ( -6.293 -1.740 5.345) 8.438 2.589 ( -0.164 -3.173 0.521) 3.219 2.645 ( 3.689 1.624 -1.611) 4.341 2.736 ( 1.122 2.576 -2.792) 3.961 2.884 ( -3.652 -0.716 -1.602) 4.052 3.160 ( 1.753 -2.319 -3.381) 4.458 3.411 ( -6.059 5.202 -1.453) 8.117 3.722 ( 0.464 2.733 -0.830) 2.894 3.889 ( -6.211 -0.236 -1.304) 6.351 4.208 ( -11.793 8.413 2.034) 14.628 4.767 ( 3.870 -5.498 1.257) 6.840 5.101 ( 4.786 -2.908 1.624) 5.831 5.601 ( 20.465 -5.081 -0.800) 21.102 6.352 ( -6.382 -0.590 0.845) 6.465 7.285 ( -1.297 -4.071 -0.472) 4.298 7.494 ( -1.185 0.862 -0.504) 1.550 7.601 ( 0.790 -0.158 -0.758) 1.106 7.786 ( 1.217 0.354 0.395) 1.328 7.884 ( 0.529 0.234 -0.372) 0.688 8.220 ( -2.121 2.329 0.875) 3.269 8.672 ( -0.225 -1.557 0.110) 1.577 9.077 ( 0.213 0.769 -0.527) 0.956 9.918 ( -1.251 -0.305 -0.382) 1.343 10.567 ( -0.395 -0.679 0.133) 0.796 11.390 ( 0.128 0.748 0.683) 1.021 11.815 ( -0.267 2.737 0.728) 2.845 11.897 ( 0.460 2.498 -0.632) 2.618 12.009 ( 0.417 0.787 0.507) 1.025 12.283 ( 0.441 0.844 0.147) 0.963 12.627 ( 0.103 -0.182 -0.456) 0.502 12.914 ( 0.204 -0.547 -0.086) 0.590 12.945 ( 1.237 -0.122 0.811) 1.484 13.026 ( -1.682 0.325 -0.053) 1.713 13.113 ( -2.198 0.774 -1.096) 2.575 13.472 ( 0.104 -0.945 0.148) 0.962 13.700 ( -0.772 1.144 1.016) 1.714 14.064 ( -2.314 -0.015 0.397) 2.347 14.314 ( 4.353 -1.481 -1.288) 4.775 ======================= Grid point 275 (143/165) ======================= q-point: (-0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 1.257 2.328 1.187) 2.900 1.561 ( -1.184 -1.586 3.502) 4.023 2.014 ( 1.924 0.254 5.788) 6.105 2.237 ( -2.899 0.260 8.034) 8.545 2.283 ( 2.035 -2.231 1.943) 3.591 2.590 ( 2.202 6.311 -2.477) 7.128 2.629 ( -0.151 -0.047 1.035) 1.047 2.685 ( 2.922 4.177 -0.545) 5.127 2.846 ( -3.691 -0.882 -0.787) 3.876 3.169 ( -0.567 4.300 -2.234) 4.879 3.258 ( -3.492 1.317 0.569) 3.775 3.599 ( -3.815 8.804 -2.521) 9.921 3.877 ( -3.174 -3.254 -0.738) 4.605 4.003 ( -3.355 7.178 2.117) 8.201 4.886 ( 2.652 -2.875 2.219) 4.497 5.180 ( 2.882 -1.443 1.453) 3.536 5.851 ( 14.581 -2.900 0.352) 14.871 6.326 ( -4.704 -2.277 2.061) 5.618 7.325 ( 3.515 -0.113 -0.040) 3.517 7.456 ( -3.832 0.618 -0.792) 3.961 7.619 ( 0.469 -1.159 -0.085) 1.253 7.741 ( -0.058 4.527 0.535) 4.559 7.904 ( 0.690 1.375 0.852) 1.758 8.148 ( -1.574 1.279 -0.594) 2.114 8.716 ( 0.239 -2.945 0.539) 3.003 9.068 ( -0.182 -0.035 -0.536) 0.567 9.944 ( -1.534 -5.194 -3.224) 6.302 10.585 ( -0.027 -1.602 0.017) 1.602 11.400 ( -0.243 -1.787 -0.492) 1.869 11.758 ( -1.144 3.456 -0.321) 3.655 11.874 ( -0.732 -0.830 -0.850) 1.396 12.011 ( -0.550 -0.747 0.214) 0.952 12.274 ( 0.150 0.562 0.117) 0.594 12.646 ( 0.178 -2.228 -0.442) 2.278 12.918 ( 0.604 0.527 0.082) 0.806 12.975 ( 0.116 -1.054 0.391) 1.130 13.004 ( -1.160 -0.297 -0.175) 1.210 13.071 ( -1.960 0.597 -1.128) 2.339 13.459 ( 0.366 3.088 0.551) 3.158 13.701 ( -0.401 -1.537 0.441) 1.648 14.062 ( -0.714 -0.994 0.531) 1.334 14.380 ( 2.693 -2.601 -0.304) 3.757 ======================= Grid point 276 (144/165) ======================= q-point: (-0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -0.219 4.818 1.813) 5.152 1.619 ( 1.007 -2.304 2.153) 3.310 2.058 ( 1.903 -0.784 3.120) 3.738 2.114 ( -1.687 13.631 5.749) 14.890 2.371 ( 1.516 -1.211 -0.333) 1.968 2.482 ( 0.144 5.278 -1.018) 5.377 2.624 ( -0.919 0.510 0.468) 1.151 2.666 ( 5.585 3.835 1.181) 6.877 2.815 ( -2.306 -0.258 -1.783) 2.927 3.053 ( 0.087 5.429 -0.123) 5.431 3.281 ( 4.669 4.388 6.848) 9.378 3.409 ( -4.225 2.371 -5.137) 7.061 3.863 ( -0.946 1.873 -0.484) 2.154 3.955 ( 1.019 -0.522 0.475) 1.240 4.909 ( -0.720 2.435 1.909) 3.177 5.234 ( -0.147 -2.273 1.857) 2.939 5.956 ( 0.895 -0.883 0.172) 1.269 6.363 ( 0.622 -2.806 1.858) 3.423 7.357 ( 0.890 3.619 0.461) 3.755 7.394 ( -1.447 -1.291 -0.632) 2.040 7.610 ( 0.188 3.173 -0.134) 3.182 7.689 ( 0.516 1.468 -0.026) 1.556 7.849 ( 1.086 4.381 0.841) 4.591 8.173 ( -0.171 -3.988 -1.106) 4.142 8.770 ( 0.156 -2.753 0.739) 2.855 9.070 ( 0.021 -0.609 -0.435) 0.749 10.008 ( -1.734 -6.017 -2.937) 6.916 10.614 ( -0.061 -1.763 0.039) 1.765 11.436 ( -0.479 -3.244 -0.701) 3.353 11.686 ( -0.561 3.526 -0.672) 3.633 11.897 ( -0.736 -2.967 -0.160) 3.061 12.027 ( -0.231 -1.400 0.270) 1.444 12.270 ( -0.148 -0.025 0.113) 0.188 12.693 ( -0.135 -3.351 -0.195) 3.360 12.895 ( -0.640 2.207 0.378) 2.329 12.988 ( -0.233 -1.983 -0.609) 2.087 13.025 ( 0.714 -0.749 0.475) 1.139 13.054 ( -0.701 -0.929 -0.376) 1.223 13.390 ( 0.307 5.474 0.272) 5.489 13.737 ( 0.015 -2.339 0.115) 2.342 14.083 ( 0.775 -1.222 0.118) 1.452 14.440 ( 0.082 -2.733 0.152) 2.738 ======================= Grid point 279 (145/165) ======================= q-point: ( 0.25 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -0.978 -0.000 -2.197) 2.405 1.660 ( -1.782 -0.000 -2.426) 3.010 1.732 ( 1.299 0.000 -6.572) 6.699 2.085 ( -4.538 -0.000 0.155) 4.540 2.218 ( -3.678 -0.000 -1.927) 4.153 2.306 ( -3.373 -0.000 -3.682) 4.993 2.382 ( -0.603 -0.000 -4.491) 4.531 2.555 ( -4.344 -0.000 -8.304) 9.371 2.876 ( 1.754 0.000 -3.708) 4.102 3.027 ( 0.538 0.000 -6.444) 6.466 3.553 ( 4.834 0.000 -2.662) 5.519 3.789 ( 26.205 0.000 3.868) 26.489 3.995 ( 0.880 0.000 -2.724) 2.862 4.029 ( 8.487 0.000 2.584) 8.871 4.536 ( -13.357 -0.000 -0.298) 13.361 5.106 ( 0.183 0.000 -2.327) 2.335 5.310 ( -22.097 -0.000 -3.830) 22.426 6.499 ( 0.024 0.000 -3.971) 3.971 6.989 ( -4.822 -0.000 0.671) 4.869 7.539 ( 0.710 0.000 -0.014) 0.710 7.605 ( -0.009 -0.000 -0.150) 0.150 7.738 ( -1.561 -0.000 -5.370) 5.593 7.775 ( 3.887 0.000 0.403) 3.907 8.242 ( -0.415 -0.000 1.732) 1.782 8.776 ( -1.536 -0.000 -1.536) 2.172 9.130 ( 1.354 0.000 -0.391) 1.409 10.162 ( -2.130 -0.000 8.200) 8.472 10.607 ( -0.875 -0.000 1.358) 1.615 11.554 ( -1.336 -0.000 3.640) 3.878 11.772 ( 9.707 0.000 3.819) 10.431 12.062 ( 1.774 0.000 2.839) 3.348 12.195 ( 5.483 0.000 0.256) 5.489 12.278 ( -0.131 -0.000 1.255) 1.262 12.808 ( -0.695 -0.000 1.016) 1.231 12.825 ( 0.264 0.000 2.327) 2.342 13.006 ( -1.139 -0.000 -0.419) 1.214 13.033 ( 0.557 0.000 0.649) 0.855 13.131 ( -0.696 -0.000 0.046) 0.698 13.282 ( 1.464 0.000 -0.713) 1.628 13.773 ( -0.264 -0.000 1.284) 1.311 14.217 ( 5.876 0.000 -3.890) 7.047 14.304 ( -7.626 -0.000 -1.128) 7.709 ======================= Grid point 280 (146/165) ======================= q-point: ( 0.38 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -1.079 1.363 -3.136) 3.586 1.613 ( -1.525 0.892 -2.459) 3.028 1.813 ( -1.714 -11.548 -6.945) 13.584 2.032 ( -3.309 1.424 1.843) 4.047 2.169 ( -5.545 -0.108 -4.136) 6.919 2.318 ( -1.506 -5.888 -4.651) 7.653 2.384 ( -1.848 -7.177 -6.434) 9.814 2.552 ( -0.787 -6.533 -3.374) 7.395 2.851 ( -2.784 -0.130 -4.050) 4.916 3.005 ( 0.453 -1.089 -5.820) 5.938 3.587 ( 4.051 -0.259 -1.354) 4.279 3.844 ( 3.706 7.415 -0.867) 8.334 4.040 ( 1.531 0.334 0.681) 1.708 4.246 ( 15.699 -7.863 2.778) 17.777 4.425 ( -11.121 -2.030 -0.041) 11.305 5.067 ( -10.181 1.983 -2.903) 10.771 5.194 ( 5.453 -4.805 -4.396) 8.494 6.443 ( -4.974 1.298 -3.155) 6.031 6.988 ( -3.599 -4.351 0.190) 5.650 7.539 ( 0.650 0.689 0.197) 0.967 7.610 ( -0.706 -0.485 -0.524) 1.005 7.700 ( -0.820 -0.736 -4.309) 4.448 7.833 ( 2.058 -3.127 0.087) 3.745 8.233 ( -0.111 1.686 1.719) 2.410 8.741 ( -1.547 1.372 -1.194) 2.388 9.132 ( 0.969 0.791 -0.675) 1.421 10.146 ( -2.846 3.605 6.918) 8.304 10.603 ( 0.018 1.195 1.895) 2.241 11.541 ( 0.047 3.004 3.777) 4.826 11.887 ( 8.510 0.193 3.788) 9.317 12.063 ( 1.504 3.360 2.817) 4.635 12.200 ( 2.828 4.554 0.459) 5.380 12.296 ( 1.679 -0.512 0.699) 1.889 12.757 ( 0.000 4.066 1.048) 4.199 12.865 ( -0.566 -1.539 0.973) 1.906 12.981 ( -0.725 0.940 0.399) 1.253 13.064 ( 0.078 -1.470 0.871) 1.710 13.110 ( -0.237 1.076 0.118) 1.108 13.315 ( 0.100 -2.943 -0.748) 3.038 13.775 ( 0.112 0.730 1.908) 2.046 14.196 ( -4.306 2.603 -2.007) 5.417 14.262 ( 2.881 -0.612 -3.397) 4.497 ======================= Grid point 281 (147/165) ======================= q-point: ( 0.50 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 1.455 -0.401 -1.863) 2.397 1.574 ( -2.573 0.229 -1.202) 2.849 1.935 ( 0.121 -5.575 -3.176) 6.418 2.016 ( -3.536 -3.210 0.723) 4.830 2.138 ( -1.991 -3.681 -1.526) 4.454 2.372 ( -5.234 -8.432 -2.856) 10.327 2.509 ( 0.433 -9.565 -5.524) 11.054 2.688 ( 0.626 -9.790 -1.067) 9.868 2.799 ( -2.442 0.439 -3.659) 4.421 3.008 ( -0.883 -3.244 -5.355) 6.323 3.592 ( 1.139 4.008 0.713) 4.228 3.765 ( 1.211 1.985 -3.037) 3.825 3.980 ( -5.093 4.516 0.547) 6.828 4.326 ( -7.406 -1.230 0.473) 7.522 4.534 ( 3.792 -7.113 1.948) 8.292 4.980 ( -3.626 -3.320 -0.925) 5.003 5.403 ( 20.529 -5.933 -4.040) 21.747 6.343 ( -9.194 0.359 -1.391) 9.305 7.053 ( -3.156 -7.028 -0.280) 7.709 7.533 ( 0.577 0.921 0.063) 1.089 7.596 ( -0.710 -0.012 -1.741) 1.880 7.707 ( -0.145 -2.326 -1.851) 2.977 7.906 ( 0.869 -3.028 -0.163) 3.154 8.215 ( 0.157 1.060 1.509) 1.851 8.694 ( -1.234 1.857 -0.609) 2.312 9.118 ( 0.657 1.247 -0.755) 1.599 10.071 ( -2.017 6.087 4.863) 8.048 10.585 ( 0.028 1.834 1.291) 2.243 11.500 ( 0.760 4.466 3.068) 5.471 11.944 ( 4.347 3.392 2.810) 6.189 12.023 ( 1.919 4.298 1.917) 5.083 12.129 ( 1.547 5.990 0.531) 6.209 12.314 ( 1.314 0.623 0.229) 1.473 12.693 ( 0.030 3.896 0.243) 3.904 12.880 ( -0.588 -1.062 0.052) 1.215 12.971 ( 0.653 0.788 1.166) 1.552 13.058 ( -0.869 1.378 0.442) 1.688 13.113 ( -0.844 -0.782 -0.163) 1.162 13.367 ( -0.511 -3.841 -0.451) 3.901 13.768 ( 0.161 1.648 1.947) 2.556 14.101 ( -4.191 2.088 -0.987) 4.785 14.287 ( 3.851 -0.390 -3.192) 5.017 ======================= Grid point 282 (148/165) ======================= q-point: ( 0.62 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 3.404 -1.938 0.224) 3.923 1.545 ( -3.328 -0.395 0.393) 3.374 1.998 ( 1.363 -1.781 3.531) 4.183 2.073 ( 2.243 -5.032 -0.412) 5.525 2.199 ( -3.889 -5.066 2.292) 6.786 2.477 ( -2.529 -9.071 0.373) 9.424 2.621 ( 0.242 -7.085 -4.837) 8.582 2.752 ( -1.093 0.918 -2.720) 3.071 2.805 ( -0.554 -3.013 -1.337) 3.343 3.056 ( -0.513 -6.892 -4.626) 8.316 3.485 ( -1.178 8.394 -0.765) 8.510 3.744 ( -0.710 0.433 -1.211) 1.469 3.857 ( -4.527 3.209 0.240) 5.554 4.248 ( -4.557 4.408 1.056) 6.428 4.661 ( -0.843 -7.797 0.871) 7.891 5.073 ( 2.366 -6.014 0.494) 6.481 5.688 ( 17.507 -6.214 -2.069) 18.692 6.256 ( -9.263 -1.669 0.341) 9.419 7.149 ( -2.402 -7.810 -0.391) 8.181 7.514 ( 0.128 1.790 -0.286) 1.817 7.592 ( 0.227 -0.791 -1.627) 1.823 7.753 ( 0.405 -3.840 -0.369) 3.879 7.921 ( 0.303 1.870 -0.376) 1.931 8.225 ( -0.194 -0.718 1.265) 1.467 8.659 ( -0.577 0.692 -0.221) 0.928 9.097 ( 0.379 1.388 -0.631) 1.571 9.970 ( -0.730 6.202 2.157) 6.607 10.565 ( -0.159 0.903 0.478) 1.034 11.446 ( 0.613 4.209 1.719) 4.588 11.897 ( 1.083 5.433 1.849) 5.840 11.965 ( 0.141 5.181 -0.097) 5.184 12.065 ( 1.618 3.899 0.799) 4.296 12.306 ( 0.459 1.200 0.060) 1.287 12.641 ( 0.014 2.134 -0.309) 2.156 12.896 ( -0.212 -1.364 -0.188) 1.393 12.977 ( 2.112 1.000 1.494) 2.774 13.028 ( -1.004 1.332 0.402) 1.716 13.093 ( -2.567 0.455 -1.402) 2.960 13.426 ( -0.233 -3.770 -0.096) 3.779 13.740 ( -0.126 2.710 1.368) 3.038 14.049 ( -1.513 0.427 -0.160) 1.580 14.316 ( 2.281 -1.168 -1.954) 3.223 ======================= Grid point 283 (149/165) ======================= q-point: (-0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -1.459 0.073 0.373) 1.508 1.536 ( 1.464 -1.989 1.529) 2.904 2.047 ( 0.630 -0.984 2.459) 2.722 2.216 ( 2.494 -6.374 1.450) 6.997 2.247 ( -1.739 -2.952 5.177) 6.208 2.587 ( -0.443 -3.156 2.493) 4.047 2.697 ( -1.653 -2.188 -3.601) 4.527 2.727 ( 5.475 -0.355 -1.833) 5.785 2.775 ( -3.264 1.314 -2.647) 4.403 3.148 ( 0.210 -5.294 -2.843) 6.013 3.307 ( -0.118 9.081 -0.745) 9.112 3.721 ( -0.254 5.525 -0.303) 5.539 3.795 ( -1.355 -1.687 0.458) 2.212 4.125 ( 0.364 7.676 0.861) 7.733 4.797 ( -1.925 -8.240 2.129) 8.726 5.174 ( 1.624 -3.073 -0.346) 3.493 5.864 ( -1.188 -5.056 -0.030) 5.194 6.252 ( -0.004 -3.251 0.885) 3.370 7.258 ( -0.398 -6.863 -0.058) 6.875 7.476 ( 0.159 2.582 -0.456) 2.627 7.603 ( 0.279 -0.959 -0.776) 1.265 7.815 ( 0.477 0.396 0.787) 1.002 7.879 ( 0.031 -0.641 -1.283) 1.435 8.208 ( 0.231 4.001 0.801) 4.087 8.668 ( -0.185 -2.326 0.062) 2.334 9.076 ( 0.251 1.071 -0.511) 1.213 9.898 ( -0.101 2.049 -0.113) 2.055 10.563 ( -0.044 -0.683 0.127) 0.696 11.401 ( 0.023 1.981 0.455) 2.033 11.827 ( 0.403 4.923 0.837) 5.010 11.881 ( -0.818 3.086 -0.429) 3.222 12.025 ( 0.105 2.172 0.286) 2.193 12.290 ( 0.100 1.042 -0.017) 1.046 12.624 ( 0.175 -0.250 -0.406) 0.508 12.916 ( -0.097 -1.152 -0.145) 1.165 12.983 ( 0.538 1.622 0.887) 1.925 13.006 ( 0.472 0.409 0.370) 0.726 13.053 ( -1.637 0.369 -1.020) 1.963 13.475 ( 0.050 -1.668 0.047) 1.670 13.703 ( 0.015 1.763 0.703) 1.898 14.048 ( 0.598 -0.673 -0.173) 0.917 14.348 ( -0.123 -2.293 -0.701) 2.401 ======================= Grid point 284 (150/165) ======================= q-point: (-0.12 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -1.733 1.790 1.129) 2.735 1.597 ( 1.909 -2.130 -0.320) 2.878 2.066 ( -0.669 -0.311 0.754) 1.055 2.273 ( -0.997 -0.556 2.766) 2.993 2.339 ( 2.573 -1.412 0.325) 2.953 2.561 ( -4.619 4.111 -0.475) 6.202 2.627 ( 0.400 4.019 -0.748) 4.108 2.724 ( -0.630 1.365 -2.825) 3.200 2.834 ( 7.385 -2.780 -0.324) 7.897 3.141 ( 2.427 3.873 0.828) 4.645 3.294 ( 4.804 -2.954 -2.936) 6.359 3.555 ( 0.730 12.035 1.496) 12.150 3.855 ( 0.899 -2.801 1.314) 3.221 4.032 ( 5.101 6.397 -0.625) 8.205 4.881 ( -5.484 -3.573 2.549) 7.024 5.202 ( -1.617 -1.088 -0.569) 2.030 5.855 ( -14.113 -4.020 -0.035) 14.674 6.342 ( 4.719 -3.075 0.443) 5.650 7.325 ( -3.562 -0.598 -0.007) 3.612 7.447 ( 3.633 1.128 0.103) 3.806 7.622 ( 0.178 -1.369 -0.408) 1.440 7.750 ( 0.395 4.510 -0.014) 4.527 7.920 ( 0.638 -0.040 -0.954) 1.149 8.143 ( 1.442 2.596 -0.007) 2.969 8.718 ( -0.468 -3.372 0.279) 3.415 9.066 ( 0.600 0.081 -0.403) 0.727 9.908 ( -0.217 -3.326 0.279) 3.345 10.584 ( -0.110 -1.573 0.091) 1.579 11.393 ( -0.346 -1.118 0.180) 1.184 11.753 ( 0.669 4.434 0.145) 4.487 11.859 ( -0.334 -0.876 0.586) 1.106 12.012 ( 0.354 -0.565 0.138) 0.681 12.275 ( -0.160 0.662 0.001) 0.681 12.644 ( 0.009 -2.129 -0.234) 2.141 12.916 ( -1.469 0.567 0.259) 1.595 12.973 ( 1.700 0.232 0.478) 1.781 13.011 ( -0.610 -1.014 -0.786) 1.421 13.050 ( 1.252 0.159 0.884) 1.541 13.466 ( 0.050 2.853 -0.137) 2.857 13.703 ( 0.124 -1.335 0.209) 1.357 14.075 ( 2.201 -1.193 -0.748) 2.613 14.378 ( -2.684 -2.996 -0.090) 4.024 ======================= Grid point 288 (151/165) ======================= q-point: ( 0.38 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -0.622 -0.000 -3.474) 3.529 1.596 ( -2.385 -0.000 -1.741) 2.953 1.629 ( -3.238 -0.000 -6.916) 7.636 2.042 ( -0.523 -0.000 -0.106) 0.534 2.092 ( -3.777 -0.000 -2.493) 4.525 2.194 ( -6.442 -0.000 -12.598) 14.150 2.255 ( -0.359 -0.000 -4.633) 4.647 2.477 ( 0.357 0.000 -1.928) 1.960 2.796 ( -4.238 -0.000 -2.639) 4.992 2.974 ( -0.331 -0.000 -3.553) 3.568 3.605 ( 3.027 0.000 -2.006) 3.631 3.952 ( -2.499 -0.000 -2.666) 3.655 3.987 ( -3.017 -0.000 2.488) 3.911 4.304 ( -8.478 -0.000 0.257) 8.482 4.370 ( 14.337 0.000 3.398) 14.734 4.922 ( -12.901 -0.000 -3.261) 13.307 5.289 ( 22.197 0.000 -5.288) 22.818 6.361 ( -10.976 -0.000 -2.170) 11.189 6.923 ( -2.556 -0.000 0.261) 2.569 7.550 ( 0.198 0.000 0.210) 0.289 7.600 ( -0.223 -0.000 -0.035) 0.226 7.661 ( -0.618 -0.000 -4.096) 4.142 7.823 ( 1.105 0.000 0.134) 1.113 8.255 ( -0.083 -0.000 1.466) 1.469 8.732 ( -1.242 -0.000 -1.166) 1.703 9.142 ( 0.569 0.000 -0.847) 1.021 10.177 ( -3.014 -0.000 4.958) 5.802 10.635 ( 1.008 0.000 2.741) 2.920 11.590 ( 0.585 0.000 3.596) 3.643 11.993 ( 7.514 0.000 3.921) 8.476 12.116 ( 0.591 0.000 2.592) 2.659 12.286 ( 3.595 0.000 -0.159) 3.599 12.300 ( 0.824 0.000 1.480) 1.694 12.808 ( -0.355 -0.000 0.881) 0.950 12.846 ( -0.033 -0.000 0.781) 0.782 12.980 ( -1.318 -0.000 0.578) 1.440 13.058 ( 0.574 0.000 1.138) 1.274 13.117 ( -0.530 -0.000 0.200) 0.567 13.287 ( 0.035 0.000 -0.700) 0.701 13.792 ( 0.144 0.000 2.196) 2.201 14.152 ( -5.885 -0.000 -1.392) 6.047 14.278 ( 4.477 0.000 -4.241) 6.167 ======================= Grid point 289 (152/165) ======================= q-point: ( 0.50 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.597 -0.556 -2.489) 2.619 1.550 ( -2.322 0.779 -1.043) 2.662 1.700 ( -3.304 -13.293 -2.849) 13.990 2.011 ( 0.610 1.338 -2.209) 2.654 2.074 ( -0.702 -2.297 -3.608) 4.334 2.161 ( -4.283 -7.159 -4.855) 9.652 2.284 ( -2.641 -8.436 -6.046) 10.710 2.543 ( 0.851 -7.497 -1.094) 7.624 2.757 ( -2.540 -0.863 -1.240) 2.955 2.952 ( -1.618 -0.174 -1.943) 2.535 3.632 ( 1.879 -0.978 -0.691) 2.228 3.817 ( -2.016 6.596 -1.873) 7.147 3.994 ( -4.811 0.865 1.834) 5.220 4.250 ( -3.262 -1.165 0.087) 3.464 4.505 ( 4.509 -1.894 1.355) 5.075 4.853 ( -4.667 -4.892 -1.615) 6.952 5.508 ( 19.183 -3.480 -3.881) 19.879 6.230 ( -12.438 -0.018 -0.358) 12.443 6.937 ( -1.623 -3.804 0.096) 4.137 7.550 ( 0.394 0.334 -0.070) 0.521 7.589 ( -0.234 0.789 -1.065) 1.346 7.658 ( -0.158 -1.906 -1.937) 2.722 7.856 ( 0.397 -2.887 0.054) 2.915 8.249 ( 0.215 1.481 0.991) 1.795 8.707 ( -0.650 1.180 -0.788) 1.561 9.135 ( 0.311 0.702 -0.800) 1.109 10.152 ( -1.242 2.904 3.147) 4.459 10.638 ( 0.869 2.334 1.930) 3.151 11.589 ( 0.887 2.949 2.677) 4.080 12.053 ( 3.996 2.255 2.896) 5.425 12.105 ( 0.175 2.969 1.741) 3.446 12.253 ( 1.860 5.402 0.872) 5.779 12.329 ( 0.621 -0.171 0.293) 0.708 12.766 ( -0.014 4.171 0.550) 4.207 12.856 ( -0.379 -0.863 -0.393) 1.021 12.987 ( 0.218 -0.903 1.586) 1.838 13.067 ( -0.647 0.144 0.689) 0.956 13.105 ( -0.124 0.985 -0.153) 1.004 13.306 ( -0.292 -2.559 -0.345) 2.599 13.800 ( 0.224 0.729 1.885) 2.033 14.087 ( -3.167 1.277 -0.991) 3.555 14.293 ( 2.234 -0.338 -3.273) 3.977 ======================= Grid point 290 (153/165) ======================= q-point: (-0.38 -0.62 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -0.221 -2.918 -0.642) 2.996 1.520 ( -1.040 0.315 0.526) 1.208 1.898 ( -2.724 -11.431 1.877) 11.900 2.032 ( 1.724 -2.804 -1.248) 3.520 2.114 ( 2.274 -4.115 -1.917) 5.077 2.267 ( -0.886 -11.185 -0.931) 11.259 2.406 ( -2.703 -11.978 -4.524) 13.086 2.688 ( 0.075 -7.805 -0.543) 7.825 2.761 ( -0.143 -1.590 -0.624) 1.714 2.939 ( -1.940 -2.447 -1.206) 3.348 3.619 ( 1.240 6.338 0.199) 6.461 3.728 ( -0.886 -0.041 -2.202) 2.373 3.902 ( -1.882 5.390 2.127) 6.092 4.260 ( -0.652 -0.766 0.689) 1.219 4.558 ( 0.129 -3.370 0.267) 3.383 4.960 ( 1.197 -8.668 -0.786) 8.786 5.664 ( -3.195 -5.769 -0.605) 6.622 6.170 ( -0.468 -1.439 0.574) 1.619 7.013 ( -0.289 -6.388 0.056) 6.395 7.543 ( 0.426 1.301 -0.015) 1.369 7.574 ( 0.544 -0.263 -1.860) 1.955 7.691 ( -0.253 -3.091 -0.475) 3.138 7.911 ( -0.144 -2.739 0.002) 2.743 8.232 ( 0.507 1.030 0.470) 1.240 8.676 ( 0.026 1.647 -0.362) 1.687 9.118 ( 0.129 1.143 -0.590) 1.293 10.091 ( 1.012 5.939 1.424) 6.191 10.603 ( 0.347 3.006 0.642) 3.094 11.540 ( 0.520 4.895 1.338) 5.101 12.014 ( 0.613 5.824 1.596) 6.070 12.052 ( -0.309 4.461 0.579) 4.509 12.165 ( 0.223 6.246 0.497) 6.270 12.326 ( -0.163 0.761 0.142) 0.792 12.694 ( 0.091 4.195 -0.057) 4.196 12.870 ( 0.110 -1.288 -0.392) 1.351 13.019 ( 1.556 -0.296 1.970) 2.528 13.049 ( -0.275 1.303 0.313) 1.368 13.074 ( -1.402 1.459 -1.178) 2.341 13.358 ( -0.251 -3.896 0.043) 3.905 13.788 ( 0.197 2.017 1.069) 2.291 14.050 ( 0.013 0.826 -0.372) 0.906 14.298 ( -0.355 -0.839 -1.728) 1.954 ======================= Grid point 291 (154/165) ======================= q-point: (-0.25 -0.62 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -4.009 -2.399 0.107) 4.674 1.543 ( 2.457 -1.302 0.879) 2.916 2.023 ( 0.444 -4.017 1.989) 4.504 2.065 ( -6.955 -5.919 -0.984) 9.185 2.244 ( 7.556 -5.101 -0.051) 9.116 2.489 ( 2.630 -11.955 -0.475) 12.250 2.546 ( -2.038 -7.666 0.718) 7.965 2.733 ( -0.158 -0.285 -0.356) 0.483 2.792 ( 0.506 -0.792 -0.624) 1.128 3.018 ( -0.251 -8.007 -0.776) 8.048 3.482 ( 1.550 9.390 -0.529) 9.532 3.736 ( 1.172 -0.463 -0.265) 1.288 3.842 ( 1.840 3.512 1.778) 4.345 4.252 ( 3.959 3.820 0.631) 5.537 4.650 ( -1.396 -7.181 1.854) 7.547 5.096 ( 0.146 -6.422 -1.789) 6.669 5.647 ( -20.331 -7.461 1.904) 21.740 6.253 ( 7.358 -2.160 0.774) 7.707 7.141 ( 1.674 -7.689 0.359) 7.878 7.516 ( 0.474 2.016 -0.436) 2.117 7.586 ( 0.681 -0.920 -1.061) 1.561 7.752 ( -0.225 -4.569 -0.257) 4.581 7.916 ( -0.579 2.040 0.095) 2.123 8.239 ( 0.759 -0.661 -0.066) 1.008 8.656 ( 0.397 0.711 0.016) 0.815 9.095 ( 0.051 1.279 -0.434) 1.351 9.994 ( 2.129 7.381 -0.211) 7.684 10.569 ( 0.221 1.263 0.069) 1.284 11.462 ( -0.164 4.791 0.162) 4.797 11.919 ( -0.660 5.652 0.064) 5.690 11.956 ( -0.445 5.979 0.476) 6.015 12.072 ( -1.590 3.975 0.057) 4.281 12.307 ( -0.366 1.121 -0.030) 1.179 12.641 ( 0.392 2.199 -0.330) 2.258 12.893 ( 0.211 -1.264 -0.067) 1.284 13.011 ( -1.914 1.217 -1.570) 2.759 13.025 ( 0.314 1.640 0.717) 1.817 13.062 ( 2.464 0.448 1.475) 2.907 13.424 ( -0.097 -3.932 0.165) 3.936 13.751 ( 0.215 2.929 0.322) 2.954 14.053 ( 2.213 0.008 -0.498) 2.268 14.298 ( -2.733 -1.635 -0.303) 3.199 ======================= Grid point 292 (155/165) ======================= q-point: (-0.12 -0.62 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -3.621 -1.381 0.368) 3.893 1.588 ( 1.637 -1.202 -0.318) 2.055 2.033 ( -3.726 -1.436 -1.626) 4.311 2.146 ( -2.677 -7.214 0.236) 7.698 2.382 ( 6.806 -2.330 -1.795) 7.414 2.542 ( -7.436 0.995 3.893) 8.452 2.663 ( 1.230 -3.048 -2.117) 3.910 2.722 ( 1.092 0.529 -2.524) 2.800 2.847 ( 5.156 -2.598 1.834) 6.058 3.131 ( 0.699 -4.888 -0.699) 4.987 3.398 ( 7.252 4.786 -0.128) 8.690 3.708 ( -0.451 4.837 0.539) 4.888 3.858 ( 5.460 -0.186 1.852) 5.769 4.230 ( 10.742 7.272 -0.160) 12.973 4.749 ( -6.021 -5.985 2.812) 8.944 5.138 ( -4.742 -2.863 -1.823) 5.832 5.580 ( -20.366 -7.274 1.195) 21.659 6.355 ( 5.221 -1.992 0.664) 5.628 7.275 ( 1.338 -4.678 0.488) 4.890 7.491 ( 1.507 1.404 -0.209) 2.071 7.598 ( -0.109 -0.809 -0.425) 0.921 7.801 ( -1.328 0.270 -0.832) 1.590 7.875 ( 0.145 -0.867 0.001) 0.879 8.235 ( 1.767 3.079 -0.439) 3.577 8.668 ( -0.070 -1.814 0.399) 1.859 9.076 ( 0.335 0.724 -0.452) 0.917 9.914 ( 1.445 3.300 0.072) 3.603 10.567 ( 0.269 -0.476 0.079) 0.552 11.397 ( -0.495 2.091 0.001) 2.149 11.829 ( -0.206 3.956 -0.610) 4.008 11.878 ( -0.287 3.069 1.192) 3.305 12.015 ( -0.796 1.136 -0.037) 1.387 12.285 ( -0.447 0.861 -0.128) 0.979 12.626 ( 0.353 -0.062 -0.344) 0.497 12.906 ( -0.724 -0.179 0.422) 0.857 12.975 ( -1.204 -0.224 -1.842) 2.212 13.016 ( 1.436 0.841 0.975) 1.929 13.085 ( 2.446 0.827 1.664) 3.071 13.474 ( -0.124 -1.581 -0.074) 1.587 13.710 ( 0.166 1.766 0.065) 1.775 14.081 ( 3.375 -0.614 -1.262) 3.655 14.297 ( -4.376 -2.341 0.356) 4.976 ======================= Grid point 297 (156/165) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -1.466 -0.000 -1.663) 2.217 1.513 ( -3.428 -0.000 -1.116) 3.605 1.550 ( -0.735 -0.000 -0.073) 0.739 1.972 ( -0.544 -0.000 -8.457) 8.474 2.043 ( 0.885 0.000 -2.087) 2.267 2.058 ( 0.375 0.000 -0.205) 0.427 2.182 ( -2.074 -0.000 -2.138) 2.978 2.472 ( 0.530 0.000 -1.117) 1.236 2.726 ( -0.920 -0.000 0.048) 0.921 2.930 ( -2.616 -0.000 0.767) 2.726 3.622 ( 0.591 0.000 -1.517) 1.628 3.890 ( -0.136 -0.000 -0.940) 0.950 3.939 ( -3.377 -0.000 3.892) 5.153 4.230 ( -0.060 -0.000 -0.033) 0.069 4.544 ( 3.278 0.000 -0.816) 3.378 4.763 ( -0.819 -0.000 -1.039) 1.323 5.555 ( -3.890 -0.000 -0.881) 3.988 6.152 ( -0.800 -0.000 0.588) 0.994 6.898 ( -0.147 -0.000 0.193) 0.242 7.555 ( 0.868 0.000 -0.634) 1.075 7.597 ( -0.175 -0.000 0.146) 0.228 7.627 ( -0.030 -0.000 -1.831) 1.831 7.832 ( -0.060 -0.000 0.073) 0.095 8.269 ( 0.551 0.000 0.311) 0.633 8.710 ( 0.068 0.000 -0.652) 0.655 9.139 ( 0.109 0.000 -0.632) 0.641 10.185 ( 0.971 0.000 1.258) 1.589 10.678 ( 0.830 0.000 1.106) 1.383 11.634 ( 0.711 0.000 1.430) 1.597 12.108 ( 0.725 0.000 1.590) 1.747 12.141 ( 0.065 0.000 1.241) 1.243 12.319 ( -0.575 -0.000 0.416) 0.710 12.327 ( 0.191 0.000 0.845) 0.867 12.812 ( 0.056 0.000 0.422) 0.426 12.845 ( 0.080 0.000 -0.405) 0.413 12.975 ( -0.077 -0.000 0.962) 0.965 13.071 ( 0.089 0.000 0.647) 0.653 13.119 ( 0.194 0.000 0.058) 0.203 13.279 ( -0.296 -0.000 -0.143) 0.329 13.817 ( 0.331 0.000 1.256) 1.299 14.075 ( -0.466 -0.000 -0.501) 0.684 14.284 ( -0.428 -0.000 -2.230) 2.271 ======================= Grid point 298 (157/165) ======================= q-point: (-0.38 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -3.168 -1.630 0.546) 3.605 1.529 ( -0.056 -0.098 1.240) 1.246 1.642 ( -2.405 -13.957 2.390) 14.363 1.994 ( 1.283 -1.829 -3.141) 3.855 2.058 ( 4.485 -4.363 -1.923) 6.546 2.137 ( 0.808 -6.147 -0.416) 6.213 2.207 ( 0.416 -6.607 1.372) 6.761 2.541 ( 0.137 -7.607 -0.941) 7.667 2.738 ( 0.457 -0.960 0.678) 1.261 2.908 ( -3.147 0.055 2.598) 4.081 3.637 ( -0.574 -2.439 -1.424) 2.882 3.793 ( 0.678 7.783 0.829) 7.856 3.977 ( 0.285 0.604 3.436) 3.501 4.247 ( 3.056 -0.849 0.270) 3.183 4.542 ( -0.016 -0.314 -2.141) 2.164 4.841 ( 3.895 -6.303 -0.514) 7.427 5.439 ( -24.126 -3.963 2.958) 24.627 6.214 ( 9.110 -0.230 1.276) 9.202 6.935 ( 1.269 -3.668 0.248) 3.889 7.562 ( 1.456 0.283 -0.678) 1.631 7.580 ( 0.220 1.169 -0.828) 1.449 7.642 ( -0.404 -2.229 -0.194) 2.274 7.855 ( -0.549 -2.827 0.116) 2.882 8.263 ( 0.774 1.463 -0.361) 1.694 8.702 ( 0.695 1.095 -0.310) 1.333 9.131 ( 0.011 0.684 -0.390) 0.787 10.187 ( 3.329 2.751 -0.386) 4.336 10.661 ( 0.321 2.812 -0.257) 2.842 11.616 ( 0.262 3.073 -0.018) 3.084 12.083 ( -3.073 2.222 -0.131) 3.794 12.114 ( 0.075 3.465 0.756) 3.547 12.260 ( -2.237 5.221 0.203) 5.684 12.328 ( -0.829 -0.008 0.457) 0.947 12.770 ( 0.073 4.313 0.163) 4.316 12.855 ( 0.806 -0.843 -0.366) 1.223 13.003 ( -0.059 -1.835 0.256) 1.854 13.070 ( 0.662 0.628 0.362) 0.982 13.103 ( 0.010 1.776 -0.061) 1.777 13.300 ( -0.297 -2.653 0.254) 2.682 13.818 ( 0.293 0.858 0.267) 0.945 14.076 ( 2.601 0.968 0.105) 2.777 14.264 ( -2.984 -0.550 -0.549) 3.084 ======================= Grid point 299 (158/165) ======================= q-point: (-0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -3.954 -2.468 1.578) 4.921 1.549 ( 1.251 -0.764 1.502) 2.099 1.857 ( -5.280 -10.590 4.279) 12.583 2.011 ( 1.974 -1.317 -0.670) 2.465 2.187 ( 5.430 -7.137 -4.817) 10.180 2.322 ( 5.021 -11.062 2.121) 12.332 2.403 ( 1.082 -10.837 4.502) 11.785 2.682 ( -0.251 -8.768 -0.056) 8.771 2.750 ( -0.499 0.172 0.976) 1.110 2.921 ( -1.485 -3.305 3.383) 4.957 3.615 ( -1.094 5.485 -1.498) 5.790 3.723 ( 0.171 -0.238 1.089) 1.128 3.957 ( 2.742 4.402 2.924) 5.954 4.322 ( 6.948 -1.327 0.855) 7.125 4.563 ( -2.308 -4.409 -0.793) 5.040 4.977 ( 1.402 -5.511 -0.799) 5.742 5.317 ( -21.669 -7.341 4.349) 23.289 6.307 ( 6.163 -0.509 2.261) 6.585 7.044 ( 2.718 -6.643 0.524) 7.197 7.545 ( 0.100 1.540 -0.714) 1.700 7.582 ( 1.760 -0.201 -0.811) 1.949 7.685 ( -0.230 -3.205 0.396) 3.238 7.901 ( -1.182 -2.733 0.324) 2.996 8.240 ( 0.458 1.084 -0.951) 1.513 8.686 ( 1.073 1.658 0.081) 1.976 9.113 ( -0.131 1.154 -0.252) 1.188 10.142 ( 4.228 6.601 -2.218) 8.146 10.606 ( 0.055 2.922 -0.696) 3.004 11.542 ( -0.312 5.105 -1.090) 5.229 11.985 ( -4.250 4.063 -1.185) 5.998 12.041 ( -1.434 5.146 0.186) 5.345 12.135 ( -2.125 5.973 -0.073) 6.340 12.315 ( -1.277 0.591 0.148) 1.415 12.698 ( 0.323 4.147 -0.221) 4.165 12.880 ( 1.046 -1.049 -0.115) 1.486 13.000 ( -1.402 0.774 -1.542) 2.224 13.058 ( 0.301 1.662 0.413) 1.739 13.100 ( 1.906 -0.107 1.124) 2.215 13.357 ( -0.118 -4.014 0.535) 4.051 13.794 ( -0.077 2.051 -0.504) 2.114 14.091 ( 4.020 1.241 -0.068) 4.208 14.243 ( -4.018 -1.058 0.969) 4.267 ======================= Grid point 300 (159/165) ======================= q-point: (-0.12 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -2.582 -2.072 1.397) 3.593 1.580 ( 0.305 -0.953 0.885) 1.335 1.923 ( -4.981 -4.005 0.633) 6.422 2.078 ( 2.131 -2.335 2.486) 4.022 2.342 ( 4.086 -7.121 -3.991) 9.129 2.492 ( -2.175 -3.452 3.099) 5.123 2.579 ( 1.863 -7.384 0.870) 7.665 2.734 ( -0.318 1.268 0.890) 1.582 2.825 ( 1.852 -6.307 1.916) 6.847 3.035 ( 1.262 -7.653 2.196) 8.061 3.505 ( -0.323 4.414 0.103) 4.427 3.738 ( -0.522 -0.148 -0.485) 0.728 3.943 ( 3.440 2.141 1.888) 4.470 4.422 ( 11.715 0.873 0.344) 11.753 4.605 ( -9.550 -6.246 1.431) 11.501 5.012 ( -4.814 -2.077 0.644) 5.282 5.326 ( -6.499 -6.427 2.030) 9.363 6.374 ( 2.370 -1.158 2.231) 3.455 7.198 ( 2.912 -7.271 0.812) 7.874 7.521 ( 0.537 1.179 -0.645) 1.447 7.593 ( 0.695 0.184 -0.164) 0.737 7.743 ( -0.170 -3.584 -0.249) 3.597 7.902 ( -1.163 1.518 0.639) 2.017 8.240 ( -0.358 -1.507 -1.084) 1.890 8.673 ( 1.025 1.209 0.453) 1.649 9.090 ( -0.170 1.096 -0.333) 1.158 10.030 ( 2.498 8.236 -2.874) 9.074 10.575 ( 0.493 0.908 -0.205) 1.054 11.446 ( -0.700 4.534 -1.118) 4.722 11.877 ( -2.782 3.547 -1.227) 4.671 11.935 ( -2.202 4.290 0.038) 4.822 12.043 ( -0.758 3.482 -0.019) 3.564 12.291 ( -1.141 0.711 -0.050) 1.345 12.646 ( 0.430 2.209 -0.430) 2.291 12.902 ( 0.485 -0.502 0.249) 0.741 12.960 ( -1.001 1.060 -1.455) 2.060 13.044 ( 0.620 0.894 0.481) 1.189 13.124 ( 1.410 0.084 1.021) 1.743 13.428 ( 0.194 -3.738 0.533) 3.781 13.747 ( -0.675 2.579 -0.546) 2.721 14.107 ( 2.513 0.601 -0.702) 2.677 14.236 ( -2.208 -1.012 1.273) 2.743 ======================= Grid point 306 (160/165) ======================= q-point: (-0.38 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -2.790 -0.000 4.082) 4.944 1.481 ( -3.192 -0.000 7.054) 7.743 1.564 ( 0.937 0.000 1.383) 1.671 1.997 ( 5.091 0.000 1.410) 5.282 2.054 ( 0.808 0.000 0.965) 1.259 2.093 ( 4.822 0.000 -0.270) 4.830 2.188 ( 2.962 0.000 1.676) 3.404 2.470 ( 0.473 0.000 -0.965) 1.075 2.750 ( 1.462 0.000 2.192) 2.635 2.891 ( -4.648 -0.000 4.884) 6.742 3.593 ( -2.032 -0.000 -1.015) 2.272 3.922 ( 1.882 0.000 0.650) 1.991 3.962 ( 0.168 0.000 4.839) 4.842 4.304 ( 8.389 0.000 0.018) 8.389 4.454 ( -12.773 -0.000 -4.812) 13.650 4.874 ( 11.993 0.000 1.509) 12.087 5.178 ( -23.885 -0.000 5.524) 24.515 6.309 ( 7.072 0.000 2.984) 7.676 6.922 ( 2.352 0.000 0.262) 2.367 7.577 ( 2.280 0.000 -2.018) 3.045 7.597 ( -0.062 -0.000 0.314) 0.320 7.611 ( -0.492 -0.000 0.698) 0.854 7.823 ( -1.180 -0.000 0.126) 1.186 8.280 ( 0.835 0.000 -1.015) 1.314 8.720 ( 1.116 0.000 0.042) 1.117 9.136 ( -0.003 -0.000 -0.237) 0.237 10.245 ( 5.265 0.000 -2.026) 5.641 10.682 ( -0.158 -0.000 -1.765) 1.772 11.641 ( 0.185 0.000 -1.467) 1.478 12.046 ( -6.991 -0.000 -1.415) 7.133 12.147 ( -0.204 -0.000 -0.356) 0.410 12.275 ( -4.183 -0.000 0.914) 4.281 12.319 ( -1.117 -0.000 -0.318) 1.162 12.818 ( 0.309 0.000 -0.099) 0.324 12.852 ( 0.860 0.000 -0.072) 0.863 12.990 ( 0.745 0.000 0.001) 0.745 13.077 ( -0.022 -0.000 -0.603) 0.603 13.118 ( 0.086 0.000 -0.017) 0.088 13.274 ( -0.525 -0.000 0.585) 0.785 13.825 ( 0.073 0.000 -0.803) 0.806 14.129 ( 5.468 0.000 0.883) 5.539 14.220 ( -4.967 -0.000 1.128) 5.094 ======================= Grid point 307 (161/165) ======================= q-point: (-0.25 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -1.908 0.072 6.027) 6.322 1.552 ( -1.215 -1.500 4.203) 4.625 1.658 ( -1.285 -11.225 7.199) 13.397 2.029 ( 2.064 0.498 1.786) 2.775 2.129 ( 5.005 -3.640 -0.516) 6.210 2.225 ( 4.108 -7.706 3.811) 9.528 2.295 ( 6.136 -6.989 2.312) 9.583 2.534 ( 0.487 -6.945 -0.703) 6.997 2.775 ( 0.648 0.501 3.866) 3.952 2.882 ( -4.773 -1.437 6.295) 8.029 3.585 ( -3.223 -1.988 -1.163) 3.962 3.818 ( -1.648 8.492 1.512) 8.782 4.019 ( -1.341 0.244 3.078) 3.366 4.306 ( -19.479 -7.454 -2.934) 21.062 4.416 ( 9.025 -1.521 0.737) 9.182 5.006 ( 6.577 1.012 3.184) 7.377 5.105 ( -0.387 -5.490 3.964) 6.782 6.368 ( 2.088 0.561 4.302) 4.814 6.986 ( 3.444 -3.952 0.374) 5.256 7.562 ( -0.131 1.269 -1.592) 2.040 7.601 ( 1.926 0.133 -0.167) 1.937 7.643 ( 0.249 -2.155 1.494) 2.634 7.832 ( -2.233 -2.865 0.205) 3.638 8.266 ( 0.505 1.684 -1.469) 2.291 8.723 ( 1.252 1.098 0.491) 1.736 9.127 ( -0.217 0.775 -0.207) 0.831 10.257 ( 5.460 3.457 -4.126) 7.667 10.644 ( -0.490 2.317 -2.131) 3.186 11.604 ( 0.070 3.338 -2.412) 4.118 11.947 ( -8.760 0.827 -2.235) 9.078 12.104 ( -1.366 3.756 -1.079) 4.140 12.201 ( -3.458 4.085 0.257) 5.358 12.304 ( -1.624 0.064 -0.044) 1.626 12.772 ( 0.119 4.338 -0.345) 4.353 12.875 ( 1.267 -1.021 -0.238) 1.644 12.995 ( -0.066 0.295 -0.849) 0.901 13.078 ( -0.071 -0.523 -0.367) 0.643 13.109 ( 0.301 0.784 0.155) 0.854 13.298 ( -0.560 -2.986 0.901) 3.169 13.810 ( -0.552 0.906 -1.429) 1.780 14.156 ( -0.117 1.892 1.571) 2.462 14.210 ( 1.728 -0.861 1.829) 2.659 ======================= Grid point 308 (162/165) ======================= q-point: (-0.12 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -0.154 -0.591 5.232) 5.268 1.571 ( -1.617 -0.654 2.874) 3.362 1.840 ( -2.090 -5.581 7.597) 9.656 2.100 ( 4.274 -2.840 3.172) 6.032 2.222 ( 1.875 -5.055 -1.276) 5.541 2.416 ( 1.498 -7.894 1.601) 8.193 2.481 ( 3.138 -7.017 1.652) 7.862 2.685 ( 0.685 -8.484 -0.333) 8.518 2.788 ( 0.437 0.463 5.561) 5.597 2.943 ( -1.069 -6.259 5.897) 8.665 3.531 ( -7.077 2.418 -1.013) 7.547 3.712 ( -3.441 0.121 0.271) 3.454 3.985 ( -2.536 1.264 1.008) 3.008 4.250 ( -22.276 -9.947 -0.324) 24.398 4.565 ( 13.029 -1.965 2.001) 13.328 5.046 ( 3.848 0.511 3.172) 5.013 5.291 ( 14.654 -2.850 2.239) 15.095 6.388 ( -1.202 0.081 4.270) 4.436 7.115 ( 3.873 -6.583 0.611) 7.662 7.534 ( -0.210 0.880 -1.184) 1.490 7.614 ( 1.531 0.639 0.224) 1.674 7.694 ( 0.210 -2.594 1.071) 2.814 7.867 ( -2.899 -3.659 0.709) 4.722 8.226 ( -0.391 1.780 -1.720) 2.506 8.715 ( 1.228 1.733 0.785) 2.264 9.105 ( -0.524 1.195 -0.310) 1.341 10.172 ( 2.511 8.044 -6.062) 10.380 10.599 ( 0.425 1.622 -0.793) 1.854 11.513 ( -0.714 5.180 -2.396) 5.752 11.850 ( -6.422 0.084 -2.077) 6.750 11.994 ( -2.437 5.530 -1.263) 6.174 12.103 ( -1.797 4.417 -0.029) 4.768 12.285 ( -1.433 0.282 0.018) 1.461 12.699 ( 0.213 3.907 -0.559) 3.953 12.899 ( 0.889 -0.682 -0.325) 1.167 12.973 ( -0.044 1.435 -0.622) 1.565 13.068 ( 0.079 1.456 0.223) 1.475 13.115 ( -0.882 -1.430 -0.486) 1.749 13.365 ( 0.039 -4.413 1.099) 4.548 13.770 ( -1.322 1.925 -1.137) 2.598 14.121 ( -2.993 0.992 1.813) 3.637 14.258 ( 5.517 0.854 1.016) 5.675 ======================= Grid point 315 (163/165) ======================= q-point: (-0.25 -0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 0.024 0.000 7.581) 7.581 1.528 ( -3.762 -0.000 13.039) 13.570 1.602 ( 0.602 0.000 3.150) 3.207 2.092 ( 4.366 0.000 0.195) 4.370 2.093 ( -2.516 -0.000 7.967) 8.355 2.276 ( 8.355 0.000 4.339) 9.414 2.303 ( 8.566 0.000 -1.507) 8.698 2.485 ( 2.801 0.000 0.040) 2.801 2.802 ( -2.078 -0.000 4.337) 4.809 2.856 ( -5.234 -0.000 9.793) 11.104 3.530 ( -3.462 -0.000 -0.462) 3.492 3.865 ( -29.515 -0.000 -3.317) 29.701 3.945 ( -0.746 -0.000 2.238) 2.359 4.029 ( -6.824 -0.000 2.505) 7.269 4.524 ( 11.879 0.000 0.862) 11.910 5.029 ( 0.908 0.000 4.780) 4.866 5.245 ( 22.765 0.000 2.643) 22.918 6.402 ( -1.935 -0.000 5.754) 6.071 6.993 ( 4.745 0.000 0.175) 4.749 7.564 ( -0.242 -0.000 -2.247) 2.260 7.600 ( -0.190 -0.000 0.381) 0.426 7.657 ( 2.567 0.000 2.456) 3.553 7.779 ( -3.861 -0.000 0.062) 3.862 8.278 ( 0.481 0.000 -1.720) 1.786 8.749 ( 1.150 0.000 1.070) 1.571 9.129 ( -0.500 -0.000 -0.307) 0.587 10.310 ( 4.667 0.000 -6.296) 7.837 10.644 ( -0.589 -0.000 -2.515) 2.583 11.624 ( 0.986 0.000 -3.173) 3.323 11.841 ( -10.419 -0.000 -2.962) 10.832 12.113 ( -2.072 -0.000 -2.113) 2.959 12.190 ( -5.474 -0.000 0.717) 5.520 12.295 ( -0.538 -0.000 -0.440) 0.696 12.822 ( 0.422 0.000 -0.401) 0.582 12.860 ( 0.173 0.000 -1.089) 1.103 13.001 ( 0.550 0.000 0.104) 0.559 13.053 ( -0.800 -0.000 -1.257) 1.490 13.129 ( 0.545 0.000 0.199) 0.580 13.264 ( -1.581 -0.000 1.043) 1.894 13.802 ( -0.797 -0.000 -1.568) 1.759 14.144 ( -4.799 -0.000 3.207) 5.772 14.278 ( 7.809 0.000 1.407) 7.935 ======================= Grid point 316 (164/165) ======================= q-point: (-0.12 -0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -1.172 0.577 6.259) 6.394 1.563 ( -3.077 -0.098 7.356) 7.974 1.739 ( 0.555 -10.537 8.665) 13.653 2.068 ( -2.021 -0.162 4.649) 5.072 2.259 ( 4.210 -7.534 3.482) 9.306 2.311 ( 4.609 0.564 1.272) 4.814 2.434 ( 4.674 -3.720 -1.008) 6.058 2.592 ( 5.531 -5.417 1.330) 7.856 2.800 ( -3.979 -2.713 4.312) 6.464 2.891 ( -1.953 -1.450 10.684) 10.957 3.461 ( -12.875 2.266 -0.854) 13.100 3.595 ( -16.717 -4.139 -0.585) 17.232 3.943 ( -4.332 0.005 0.720) 4.391 4.012 ( -4.811 -1.986 0.313) 5.214 4.658 ( 10.757 -2.280 1.851) 11.150 5.096 ( 5.181 -0.490 4.197) 6.686 5.489 ( 23.445 -0.021 2.531) 23.582 6.398 ( -3.738 0.625 5.774) 6.907 7.077 ( 5.946 -3.566 0.185) 6.936 7.538 ( -0.564 1.019 -1.509) 1.906 7.617 ( -0.297 -1.631 0.040) 1.658 7.689 ( 1.052 0.404 2.252) 2.518 7.766 ( -4.257 -3.614 0.562) 5.612 8.254 ( 0.232 2.121 -1.823) 2.806 8.757 ( 1.069 1.147 1.427) 2.121 9.113 ( -0.860 0.809 -0.454) 1.265 10.261 ( 1.148 4.794 -8.459) 9.791 10.622 ( 0.595 1.044 -0.984) 1.553 11.573 ( -0.391 4.464 -3.128) 5.465 11.751 ( -7.047 -2.110 -2.855) 7.891 12.039 ( -3.082 3.906 -1.931) 5.337 12.128 ( -4.351 1.696 0.131) 4.672 12.282 ( -0.364 0.662 -0.210) 0.784 12.767 ( 0.000 4.343 -0.772) 4.411 12.884 ( 0.065 -1.774 -0.877) 1.980 12.994 ( 0.539 1.101 -0.025) 1.227 13.063 ( -0.771 -1.938 -0.859) 2.255 13.106 ( -0.689 2.505 0.061) 2.599 13.294 ( -0.941 -4.205 1.127) 4.454 13.778 ( -0.818 1.141 -0.942) 1.691 14.115 ( -3.372 0.651 2.738) 4.392 14.349 ( 6.952 1.203 1.152) 7.148 ======================= Grid point 324 (165/165) ======================= q-point: (-0.12 -0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -8.177 -0.000 5.092) 9.633 1.597 ( -2.968 -0.000 11.724) 12.094 1.677 ( 2.892 0.000 3.450) 4.501 2.111 ( -4.341 -0.000 8.781) 9.795 2.185 ( 4.573 0.000 0.365) 4.587 2.369 ( 0.288 0.000 -0.367) 0.466 2.488 ( 11.205 0.000 -0.473) 11.215 2.637 ( 8.800 0.000 2.645) 9.189 2.712 ( -8.073 -0.000 3.500) 8.799 2.932 ( -1.553 -0.000 9.493) 9.619 3.289 ( -21.749 -0.000 2.497) 21.892 3.461 ( -2.800 -0.000 -0.227) 2.809 3.940 ( -3.794 -0.000 -3.839) 5.397 3.955 ( -0.761 -0.000 2.550) 2.661 4.731 ( 7.197 0.000 1.892) 7.441 5.179 ( 6.400 0.000 4.534) 7.843 5.720 ( 20.343 0.000 2.321) 20.475 6.396 ( -3.900 -0.000 5.803) 6.992 7.119 ( 8.512 0.000 -0.019) 8.512 7.539 ( -0.121 -0.000 -1.651) 1.655 7.574 ( -5.068 -0.000 0.367) 5.081 7.677 ( -4.726 -0.000 -0.143) 4.728 7.742 ( 2.805 0.000 2.934) 4.059 8.266 ( 0.302 0.000 -1.727) 1.754 8.786 ( 1.016 0.000 1.862) 2.121 9.108 ( -1.055 -0.000 -0.594) 1.210 10.253 ( -1.235 -0.000 -9.372) 9.453 10.635 ( 1.079 0.000 -0.396) 1.149 11.615 ( 1.433 0.000 -3.128) 3.440 11.630 ( -7.091 -0.000 -2.845) 7.640 12.037 ( -2.779 -0.000 -1.938) 3.388 12.088 ( -5.111 -0.000 0.444) 5.131 12.288 ( 0.050 0.000 -0.334) 0.338 12.823 ( 0.048 0.000 -0.353) 0.356 12.831 ( -1.304 -0.000 -1.534) 2.014 13.016 ( 0.438 0.000 0.573) 0.721 13.036 ( 0.179 0.000 -0.750) 0.771 13.134 ( -0.176 -0.000 0.060) 0.186 13.239 ( -1.685 -0.000 0.827) 1.877 13.781 ( -0.125 -0.000 -0.386) 0.406 14.107 ( -2.149 -0.000 2.273) 3.128 14.427 ( 5.430 0.000 1.096) 5.540 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/24192 10.0 212.838 166.214 198.076 0.000 8.041 0.000 3/24192 20.0 29.651 31.310 27.713 0.000 1.454 0.000 3/24192 30.0 13.409 14.901 12.256 0.000 0.720 0.000 3/24192 40.0 8.712 9.593 7.643 0.000 0.472 0.000 3/24192 50.0 6.647 7.086 5.538 0.000 0.347 0.000 3/24192 60.0 5.489 5.636 4.348 0.000 0.272 0.000 3/24192 70.0 4.726 4.691 3.583 0.000 0.222 0.000 3/24192 80.0 4.170 4.025 3.051 0.000 0.188 0.000 3/24192 90.0 3.739 3.531 2.659 0.000 0.163 0.000 3/24192 100.0 3.393 3.150 2.358 0.000 0.144 0.000 3/24192 110.0 3.107 2.846 2.120 0.000 0.129 0.000 3/24192 120.0 2.867 2.599 1.927 0.000 0.117 0.000 3/24192 130.0 2.662 2.393 1.767 0.000 0.108 0.000 3/24192 140.0 2.485 2.219 1.632 0.000 0.100 0.000 3/24192 150.0 2.330 2.070 1.517 0.000 0.093 0.000 3/24192 160.0 2.194 1.941 1.418 0.000 0.087 0.000 3/24192 170.0 2.073 1.827 1.331 0.000 0.082 0.000 3/24192 180.0 1.965 1.727 1.254 0.000 0.077 0.000 3/24192 190.0 1.867 1.637 1.186 0.000 0.074 0.000 3/24192 200.0 1.779 1.557 1.125 0.000 0.070 0.000 3/24192 210.0 1.699 1.484 1.070 0.000 0.067 0.000 3/24192 220.0 1.626 1.418 1.020 0.000 0.064 0.000 3/24192 230.0 1.559 1.358 0.975 0.000 0.061 0.000 3/24192 240.0 1.497 1.302 0.934 0.000 0.059 0.000 3/24192 250.0 1.440 1.251 0.896 0.000 0.057 0.000 3/24192 260.0 1.387 1.204 0.861 0.000 0.054 0.000 3/24192 270.0 1.338 1.161 0.829 0.000 0.053 0.000 3/24192 280.0 1.292 1.120 0.799 0.000 0.051 0.000 3/24192 290.0 1.249 1.082 0.771 0.000 0.049 0.000 3/24192 300.0 1.209 1.047 0.745 0.000 0.047 0.000 3/24192 310.0 1.172 1.014 0.721 0.000 0.046 0.000 3/24192 320.0 1.136 0.983 0.698 0.000 0.045 0.000 3/24192 330.0 1.103 0.954 0.677 0.000 0.043 0.000 3/24192 340.0 1.072 0.926 0.657 0.000 0.042 0.000 3/24192 350.0 1.042 0.900 0.638 0.000 0.041 0.000 3/24192 360.0 1.014 0.876 0.620 0.000 0.040 0.000 3/24192 370.0 0.987 0.852 0.603 0.000 0.039 0.000 3/24192 380.0 0.962 0.830 0.587 0.000 0.038 0.000 3/24192 390.0 0.938 0.809 0.572 0.000 0.037 0.000 3/24192 400.0 0.915 0.789 0.558 0.000 0.036 0.000 3/24192 410.0 0.893 0.770 0.544 0.000 0.035 0.000 3/24192 420.0 0.873 0.752 0.531 0.000 0.034 0.000 3/24192 430.0 0.853 0.735 0.519 0.000 0.034 0.000 3/24192 440.0 0.834 0.719 0.507 0.000 0.033 0.000 3/24192 450.0 0.816 0.703 0.496 0.000 0.032 0.000 3/24192 460.0 0.798 0.688 0.485 0.000 0.031 0.000 3/24192 470.0 0.782 0.673 0.475 0.000 0.031 0.000 3/24192 480.0 0.766 0.660 0.465 0.000 0.030 0.000 3/24192 490.0 0.750 0.646 0.455 0.000 0.030 0.000 3/24192 500.0 0.736 0.633 0.446 0.000 0.029 0.000 3/24192 510.0 0.721 0.621 0.437 0.000 0.028 0.000 3/24192 520.0 0.708 0.609 0.429 0.000 0.028 0.000 3/24192 530.0 0.695 0.598 0.421 0.000 0.027 0.000 3/24192 540.0 0.682 0.587 0.413 0.000 0.027 0.000 3/24192 550.0 0.670 0.576 0.405 0.000 0.026 0.000 3/24192 560.0 0.658 0.566 0.398 0.000 0.026 0.000 3/24192 570.0 0.647 0.556 0.391 0.000 0.025 0.000 3/24192 580.0 0.636 0.547 0.384 0.000 0.025 0.000 3/24192 590.0 0.625 0.538 0.378 0.000 0.025 0.000 3/24192 600.0 0.615 0.529 0.372 0.000 0.024 0.000 3/24192 610.0 0.605 0.520 0.366 0.000 0.024 0.000 3/24192 620.0 0.595 0.512 0.360 0.000 0.023 0.000 3/24192 630.0 0.586 0.504 0.354 0.000 0.023 0.000 3/24192 640.0 0.577 0.496 0.348 0.000 0.023 0.000 3/24192 650.0 0.568 0.489 0.343 0.000 0.022 0.000 3/24192 660.0 0.559 0.481 0.338 0.000 0.022 0.000 3/24192 670.0 0.551 0.474 0.333 0.000 0.022 0.000 3/24192 680.0 0.543 0.467 0.328 0.000 0.021 0.000 3/24192 690.0 0.535 0.460 0.323 0.000 0.021 0.000 3/24192 700.0 0.528 0.454 0.318 0.000 0.021 0.000 3/24192 710.0 0.520 0.448 0.314 0.000 0.021 0.000 3/24192 720.0 0.513 0.441 0.310 0.000 0.020 0.000 3/24192 730.0 0.506 0.435 0.305 0.000 0.020 0.000 3/24192 740.0 0.499 0.429 0.301 0.000 0.020 0.000 3/24192 750.0 0.493 0.424 0.297 0.000 0.019 0.000 3/24192 760.0 0.486 0.418 0.293 0.000 0.019 0.000 3/24192 770.0 0.480 0.413 0.290 0.000 0.019 0.000 3/24192 780.0 0.474 0.408 0.286 0.000 0.019 0.000 3/24192 790.0 0.468 0.402 0.282 0.000 0.018 0.000 3/24192 800.0 0.462 0.397 0.279 0.000 0.018 0.000 3/24192 810.0 0.457 0.393 0.275 0.000 0.018 0.000 3/24192 820.0 0.451 0.388 0.272 0.000 0.018 0.000 3/24192 830.0 0.446 0.383 0.269 0.000 0.018 0.000 3/24192 840.0 0.440 0.379 0.265 0.000 0.017 0.000 3/24192 850.0 0.435 0.374 0.262 0.000 0.017 0.000 3/24192 860.0 0.430 0.370 0.259 0.000 0.017 0.000 3/24192 870.0 0.425 0.366 0.256 0.000 0.017 0.000 3/24192 880.0 0.421 0.362 0.253 0.000 0.017 0.000 3/24192 890.0 0.416 0.357 0.250 0.000 0.016 0.000 3/24192 900.0 0.411 0.354 0.248 0.000 0.016 0.000 3/24192 910.0 0.407 0.350 0.245 0.000 0.016 0.000 3/24192 920.0 0.402 0.346 0.242 0.000 0.016 0.000 3/24192 930.0 0.398 0.342 0.240 0.000 0.016 0.000 3/24192 940.0 0.394 0.339 0.237 0.000 0.016 0.000 3/24192 950.0 0.390 0.335 0.235 0.000 0.015 0.000 3/24192 960.0 0.386 0.332 0.232 0.000 0.015 0.000 3/24192 970.0 0.382 0.328 0.230 0.000 0.015 0.000 3/24192 980.0 0.378 0.325 0.227 0.000 0.015 0.000 3/24192 990.0 0.374 0.322 0.225 0.000 0.015 0.000 3/24192 1000.0 0.370 0.318 0.223 0.000 0.015 0.000 3/24192 Thermal conductivity related properties were written into "kappa-m889.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:36:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|